G281-2492 Screening compound: N~5~-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-2492 Screening compound: N~5~-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-2492 Screening compound: N~5~-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-2492
N~5~-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-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

G281-2492

Molecular Formula

C28H26ClFN4OS (C28 H26 ClFN4 OS)

Compound Name

N~5~-(5-chloro-2-methylphenyl)-4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

IUPAC name

N-(5-chloro-2-methylphenyl)-7-(4-fluorophenyl)-14-methyl-17-thia-2814-triazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

Cc(ccc(Cl)c1)c1NC(N(Cc1c(-n2c3ccc2)sc2c1CCN(C)C2)C3c(cc1)ccc1F)=O

InChI

InChI=1S/C28H26ClFN4OS/c1-17-5-8-19(29)14-23(17)31-28(35)34-15-22-21-11-13-32(2)16-25(21)36-27(22)33-12-3-4-24(33)26(34)18-6-9-20(30)10-7-18/h3-10,12,14,26H,11,13,15-16H2,1-2H3,(H,31,35)/t26-/m1/s1

InChI Key

XLSRITRIBBJJMA-AREMUKBSSA-N

MDL Number (MFCD)

MFCD27212685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.06

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.396

Distribution Coefficient, logD

4.632

Water Solubility, LogSw

-6.42

Polar Surface Area

29.655

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G281-2492 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 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 G281-2492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-2492?
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What is the minimum amount of G281-2492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-2492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-2492
  • 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 G281-2492 available by request