G281-0966 Screening compound: N~5~-(2-fluorophenyl)-4-(3-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-0966 Screening compound: N~5~-(2-fluorophenyl)-4-(3-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-0966 Screening compound: N~5~-(2-fluorophenyl)-4-(3-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 G281-0966
N~5~-(2-fluorophenyl)-4-(3-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

G281-0966

Molecular Formula

C27H23F2N3OS (C27 H23 F2 N3 OS)

Compound Name

N~5~-(2-fluorophenyl)-4-(3-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-(2-fluorophenyl)-7-(3-fluorophenyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

O=C(Nc(cccc1)c1F)N(Cc1c(-n2c3ccc2)sc2c1CCCC2)C3c1cc(F)ccc1

InChI

InChI=1S/C27H23F2N3OS/c28-18-8-5-7-17(15-18)25-23-12-6-14-31(23)26-20(19-9-1-4-13-24(19)34-26)16-32(25)27(33)30-22-11-3-2-10-21(22)29/h2-3,5-8,10-12,14-15,25H,1,4,9,13,16H2,(H,30,33)/t25-/m0/s1

InChI Key

QDVSBFPZQIMPEE-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14994106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.56

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

7.126

Distribution Coefficient, logD

7.126

Water Solubility, LogSw

-6.10

Polar Surface Area

26.245

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

G281-0966 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 G281-0966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0966?
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What is the minimum amount of G281-0966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0966
  • 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 G281-0966 available by request