G681-0741 Screening compound: ethyl 4-(2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate

G681-0741 Screening compound: ethyl 4-(2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
G681-0741 Screening compound: ethyl 4-(2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G681-0741
ethyl 4-(2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate

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

G681-0741

Molecular Formula

C26H22FN3O3S (C26 H22 FN3 O3 S)

Compound Name

ethyl 4-(2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[4-(4-fluorophenyl)-3H-15-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSC(C1)=Nc(cccc2)c2N=C1c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C26H22FN3O3S/c1-2-33-26(32)18-9-13-20(14-10-18)28-24(31)16-34-25-15-23(17-7-11-19(27)12-8-17)29-21-5-3-4-6-22(21)30-25/h3-14H,2,15-16H2,1H3,(H,28,31)

InChI Key

KGPXWJKQMSIYFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15028987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.305

Distribution Coefficient, logD

5.304

Water Solubility, LogSw

-5.29

Polar Surface Area

62.093

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

G681-0741 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 G681-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G681-0741?
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What is the minimum amount of G681-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G681-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G681-0741
  • 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 G681-0741 available by request