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(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one

HCID 656755
NotesReactions
Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
103342-82-1
Standard SMILES
CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21
InChIKey
CGBANSGENFERAT-JOCHJYFZSA-N
Molecular formula
C25H20FN3O
Average molar mass
397.4 g/mol
Monoisotopic mass
397.15904043

Overview

R-L3 is a benzodiazepine.

Names & identifiers

Preferred name
(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one
IUPAC
(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one
English name
5-(2-Fluorophenyl)-1,3-dihydro-3-(1H-indol-3-ylmethyl)-1-methyl-2H-1,4-benzodiazepin-2-one
Molecular formula
C25H20FN3O
Molecular weight
397.45

Names & synonyms

103342-82-1R-L3L-364,373L-364373(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-oneCCK antagonist synthetic 11C13824AC1LCVITR-L364,373SureCN7515330L3643735-(2-FLUOROPHENYL)-1,3-DIHYDRO-3-(1H-INDOL-3-YLMETHYL)-1-METHYL-2H-1,4-BENZODIAZEPIN-2-ONE
Show more names
373L364,373,L 364,373Lecithin Impurity 13(D-Inositol)Devazepide Impurity 1 (L-364373)2H-1,4-Benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-3-(1H-indol-3-ylmethyl)-1-methyl-, (3R)-
GTPL2595orb1704439SCHEMBL7515330CHEMBL1907717SCHEMBL29392864BDBM82388CHEBI:34942DTXSID90349652

Database identifiers

CAS
103342-82-1
PubChem CID
656755

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
48.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
30
Formal charge
0
Complexity
667

Physicochemical properties

Melting point
80 · 80-85 °C
Boiling point
640.538 · 640.538±55.00 °C(Press: 760.00 Torr)(predicted)
Density
1.275 · 1.275±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
4 °C · Store at +4°C
solubility
100 mM · Soluble to 100 mM in DMSO
form
Powder
pka
17.064 · 17.064±0.30(predicted)
color
White to off-white

Chemistry & industry

Applications

UsesL-364,373 is a KCNQ1/mink channels activator.

Suppliers7 total

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]

Additional notes

DefinitionChEBI: R-L3 is a benzodiazepine.

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
DTXSID
DTXSID90349652
ChEMBL
CHEMBL1907717
ChEBI
CHEBI:34942
Nikkaji
J984.982C