G118-0969 Screening compound: N~5~-(4-bromo-3-methylphenyl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-0969 Screening compound: N~5~-(4-bromo-3-methylphenyl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-0969 Screening compound: N~5~-(4-bromo-3-methylphenyl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-0969
N~5~-(4-bromo-3-methylphenyl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G118-0969

Molecular Formula

C26H22BrN3O (C26 H22 BrN3 O)

Compound Name

N~5~-(4-bromo-3-methylphenyl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

IUPAC name

N-(4-bromo-3-methylphenyl)-7-phenyl-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

Cc(cc(cc1)NC(N(Cc(cccc2)c2-n2c3ccc2)C3c2ccccc2)=O)c1Br

InChI

InChI=1S/C26H22BrN3O/c1-18-16-21(13-14-22(18)27)28-26(31)30-17-20-10-5-6-11-23(20)29-15-7-12-24(29)25(30)19-8-3-2-4-9-19/h2-16,25H,17H2,1H3,(H,28,31)/t25-/m1/s1

InChI Key

RNWGBNSATXQONX-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14981335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.939

Distribution Coefficient, logD

6.939

Water Solubility, LogSw

-5.58

Polar Surface Area

26.571

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

G118-0969 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G118-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-0969?
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What is the minimum amount of G118-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-0969
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G118-0969 available by request