D-64131

HCID 3921152CAS 74588-78-6
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc2[nH]c(C(=O)c3ccccc3)cc2c1
InChIKey
ICMIJSRDISNKOC-UHFFFAOYSA-N
Molecular formula
C16H13NO2
Average molar mass
251.28 g/mol
Monoisotopic mass
251.09462866

Overview

(5-methoxy-1H-indol-2-yl)-phenylmethanone is a N-acylindole.

Names & identifiers

Preferred name
D-64131
IUPAC
(5-methoxy-1H-indol-2-yl)-phenylmethanone
English name
(5-Methoxy-1H-indol-2-yl)phenylmethanone
Molecular formula
C16H13NO2
Molecular weight
251.28

Names & synonyms

74588-78-6D-64131DTXSID30397970RefChem:336443DTXCID10348829D64131(5-Methoxy-1H-indol-2-yl)(phenyl)methanone(5-methoxy-1H-indol-2-yl)-phenylmethanone(5-METHOXY-1H-INDOL-2-YL)PHENYLMETHANONE(5-Methoxy-1H-indol-2-yl)-phenyl-methanoneMFCD04039791Tocris-1643
Show more names
CS-888D 64131D-64131(sc-203908)D-64131, 10 mM in DMSOMethanone,(5-methoxy-1H-indol-2-yl)phenyl-tubulin-inhibitory,D64131,Inhibitor,D-64131,G2/M,antiproliferative,inhibit,Microtubule/Tubulin,phase,carcinoma,antimitotic,activity,cytotoxicity,D 64131,astrocytoma
CHEMBL140220SCHEMBL5828518CHEBI:92475HMS3676P03SR-01000597597-1D-6413NCGC00025243-01FT-0700358

Database identifiers

CAS
74588-78-6
PubChem CID
3921152
DTXSID
DTXSID30397970
ChEMBL
CHEMBL140220
ChEBI
CHEBI:92475
Nikkaji
J1.679.707C

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
42.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
19

Physicochemical properties

Melting point
162 °C · 162 °C
Boiling point
455.2 · 455.2±25.0 °C(Predicted)
Density
1.231 · 1.231±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Sealed in dry,Store in freezer, under -20°C
solubility
Soluble in DMSO
pka
14.81 · 14.81±0.30(Predicted)

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

UsesNovel inhibitor of tubulin polymerization

Suppliers50 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Additional notes

DefinitionChEBI: (5-methoxy-1H-indol-2-yl)-phenylmethanone is a N-acylindole.

Related reactions

2 records
New reaction record

Linked notes

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