G681-0103 Screening compound: N-(2-fluorophenyl)-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

G681-0103 Screening compound: N-(2-fluorophenyl)-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
G681-0103 Screening compound: N-(2-fluorophenyl)-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G681-0103
N-(2-fluorophenyl)-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

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

G681-0103

Molecular Formula

C24H20FN3OS (C24 H20 FN3 OS)

Compound Name

N-(2-fluorophenyl)-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

IUPAC name

N-(2-fluorophenyl)-2-{[4-(4-methylphenyl)-3H-15-benzodiazepin-2-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1C(C1)=Nc(cccc2)c2N=C1SCC(Nc(cccc1)c1F)=O

InChI

InChI=1S/C24H20FN3OS/c1-16-10-12-17(13-11-16)22-14-24(28-21-9-5-4-8-20(21)26-22)30-15-23(29)27-19-7-3-2-6-18(19)25/h2-13H,14-15H2,1H3,(H,27,29)

InChI Key

WIXWHZDAVQIVDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27150999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.878

Distribution Coefficient, logD

4.877

Water Solubility, LogSw

-4.58

Polar Surface Area

40.641

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G681-0103 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 G681-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G681-0103?
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What is the minimum amount of G681-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G681-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G681-0103
  • 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 G681-0103 available by request