Basic information
- CAS
154447-38-8- Standard SMILES
O=c1cc(N2CCNCC2)oc2c(-c3ccccc3)cccc12- InChIKey
NGAGMBNBKCDCDJ-UHFFFAOYSA-N- Molecular formula
- C19H18N2O2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.13682782
Overview
8-phenyl-2-(1-piperazinyl)-1-benzopyran-4-one is a N-arylpiperazine.
Names & identifiers
- Preferred name
- LY 303511
- IUPAC
- 8-phenyl-2-piperazin-1-ylchromen-4-one
- English name
- LY 303511
- Molecular formula
- C19H18N2O2
- Molecular weight
- 306.36
Names & synonyms
154447-38-8LY 303511LY303511ly-3035118-phenyl-2-(piperazin-1-yl)-4h-chromen-4-oneDTXSID90165632RefChem:154519DTXCID00881238-phenyl-2-piperazin-1-ylchromen-4-one2-Piperazinyl-8-phenyl-4H-1-benzopyran-4-one8-Phenyl-2-Piperazin-1-Yl-Chromen-4-One4H-1-Benzopyran-4-one,8-phenyl-2-(1-piperazinyl)-
Show more names
NV-128 (NV 128LY303511, >=98%LY-303511(Nv-128)LY 303511, PI3-kinase inhibitor4H-1-Benzopyran-4-one, 8-phenyl-2-(1-piperazinyl)-LY 303511 dihydrochloride, Negative control for LY 294002
CHEMBL13631842-(1-Piperazinyl)-8-phenyl-4H-1-benzopyran-4-one2-(4-Piperazinyl)-8-phenyl-4H-1-benzopyran-4-oneMFCD03453556SCHEMBL6192978-Phenyl-2-(1-piperazinyl)-4H-1-benzopyran-4-oneGTPL6005orb1226117
Database identifiers
- CAS
154447-38-8- PubChem CID
- 3971
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Boiling point
- 496.1 · 496.1±45.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C · Store at +4°C
- solubility
- 100 mM · Soluble to 100 mM in 1eq. HCl and to 100 mM in DMSO
- form
- Amber solid
- pka
- 9.2 · 9.20±0.10(Predicted)
- color
- amber
- InChI
- 1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2
- InChIKey
- NGAGMBNBKCDCDJ-UHFFFAOYSA-N
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- WGK Germany
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 1
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Applications
UsesLY 303511 is an inactive analog of the phosphoinositide 3-kinase inhibitor LY294002.
Suppliers50 total
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海波以尔化工有限公司[email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海瀚香生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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