G281-0131 Screening compound: N~5~-(2,5-difluorophenyl)-4-(4-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-0131 Screening compound: N~5~-(2,5-difluorophenyl)-4-(4-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-0131 Screening compound: N~5~-(2,5-difluorophenyl)-4-(4-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-0131
N~5~-(2,5-difluorophenyl)-4-(4-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[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

G281-0131

Molecular Formula

C27H22F3N3OS (C27 H22 F3 N3 OS)

Compound Name

N~5~-(2,5-difluorophenyl)-4-(4-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

IUPAC name

N-(25-difluorophenyl)-7-(4-fluorophenyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

O=C(Nc(cc(cc1)F)c1F)N(Cc1c(-n2c3ccc2)sc2c1CCCC2)C3c(cc1)ccc1F

InChI

InChI=1S/C27H22F3N3OS/c28-17-9-7-16(8-10-17)25-23-5-3-13-32(23)26-20(19-4-1-2-6-24(19)35-26)15-33(25)27(34)31-22-14-18(29)11-12-21(22)30/h3,5,7-14,25H,1-2,4,6,15H2,(H,31,34)/t25-/m0/s1

InChI Key

FRPMJSHZCDVUHH-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14993756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.55

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

7.456

Distribution Coefficient, logD

7.456

Water Solubility, LogSw

-6.07

Polar Surface Area

26.245

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

G281-0131 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 G281-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0131?
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What is the minimum amount of G281-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0131
  • 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 G281-0131 available by request