G681-0701 Screening compound: N-(3,4-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

G681-0701 Screening compound: N-(3,4-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
G681-0701 Screening compound: N-(3,4-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G681-0701
N-(3,4-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-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

G681-0701

Molecular Formula

C25H22FN3O3S (C25 H22 FN3 O3 S)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-15-benzodiazepin-2-yl]sulfanyl}acetamide

SMILES

COc(ccc(NC(CSC(C1)=Nc(cccc2)c2N=C1c(cc1)ccc1F)=O)c1)c1OC

InChI

InChI=1S/C25H22FN3O3S/c1-31-22-12-11-18(13-23(22)32-2)27-24(30)15-33-25-14-21(16-7-9-17(26)10-8-16)28-19-5-3-4-6-20(19)29-25/h3-13H,14-15H2,1-2H3,(H,27,30)

InChI Key

AUVNLCYRNYMFHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15028961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.239

Distribution Coefficient, logD

4.238

Water Solubility, LogSw

-4.38

Polar Surface Area

56.600

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G681-0701 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 G681-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G681-0701?
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What is the minimum amount of G681-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G681-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G681-0701
  • 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 G681-0701 available by request