G681-0819 Screening compound: ethyl 4-(2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate

G681-0819 Screening compound: ethyl 4-(2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
G681-0819 Screening compound: ethyl 4-(2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G681-0819
ethyl 4-(2-{[4-(4-chlorophenyl)-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

G681-0819

Molecular Formula

C26H22ClN3O3S (C26 H22 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CSC(C1)=Nc(cccc2)c2N=C1c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C26H22ClN3O3S/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

GYFFAXOUUKNTDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492

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

5.871

Distribution Coefficient, logD

5.870

Water Solubility, LogSw

-6.00

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

G681-0819 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G681-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G681-0819?
Check Price and Availability of G681-0819, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G681-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G681-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G681-0819
  • 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 G681-0819 available by request