G118-1357 Screening compound: N~5~-(3-chloro-4-fluorophenyl)-4-(3,5-difluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-1357 Screening compound: N~5~-(3-chloro-4-fluorophenyl)-4-(3,5-difluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-1357 Screening compound: N~5~-(3-chloro-4-fluorophenyl)-4-(3,5-difluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-1357
N~5~-(3-chloro-4-fluorophenyl)-4-(3,5-difluorophenyl)-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

G118-1357

Molecular Formula

C25H17ClF3N3O (C25 H17 ClF3 N3 O)

Compound Name

N~5~-(3-chloro-4-fluorophenyl)-4-(3,5-difluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-7-(35-difluorophenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

O=C(Nc(cc1)cc(Cl)c1F)N(Cc(cccc1)c1-n1c2ccc1)C2c1cc(F)cc(F)c1

InChI

InChI=1S/C25H17ClF3N3O/c26-20-13-19(7-8-21(20)29)30-25(33)32-14-15-4-1-2-5-22(15)31-9-3-6-23(31)24(32)16-10-17(27)12-18(28)11-16/h1-13,24H,14H2,(H,30,33)/t24-/m1/s1

InChI Key

XUYHJLYJFBRNNZ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14981469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.88

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

6.716

Distribution Coefficient, logD

6.716

Water Solubility, LogSw

-6.57

Polar Surface Area

26.571

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

G118-1357 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G118-1357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-1357?
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What is the minimum amount of G118-1357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-1357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-1357
  • 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 G118-1357 available by request