G681-0518 Screening compound: N-(4-ethoxyphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide

G681-0518 Screening compound: N-(4-ethoxyphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
G681-0518 Screening compound: N-(4-ethoxyphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G681-0518
N-(4-ethoxyphenyl)-2-{[4-(4-methoxyphenyl)-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

G681-0518

Molecular Formula

C26H25N3O3S (C26 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CSC(C1)=Nc(cccc2)c2N=C1c(cc1)ccc1OC)=O

InChI

InChI=1S/C26H25N3O3S/c1-3-32-21-14-10-19(11-15-21)27-25(30)17-33-26-16-24(18-8-12-20(31-2)13-9-18)28-22-6-4-5-7-23(22)29-26/h4-15H,3,16-17H2,1-2H3,(H,27,30)

InChI Key

GCJUMFHIQVRIOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.026

Distribution Coefficient, logD

5.025

Water Solubility, LogSw

-4.55

Polar Surface Area

56.006

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

G681-0518 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 G681-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G681-0518?
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What is the minimum amount of G681-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G681-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G681-0518
  • 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 G681-0518 available by request