G856-2475 Screening compound: 3-(2-chlorophenyl)-N-(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

G856-2475 Screening compound: 3-(2-chlorophenyl)-N-(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
G856-2475 Screening compound: 3-(2-chlorophenyl)-N-(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-2475
3-(2-chlorophenyl)-N-(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

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

G856-2475

Molecular Formula

C21H22ClN5O3S2 (C21 H22 ClN5 O3 S2)

Compound Name

3-(2-chlorophenyl)-N-(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

IUPAC name

3-(2-chlorophenyl)-N-(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-5-methyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(Nc2nnc(SCC(NC3CCCCC3)=O)s2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C21H22ClN5O3S2/c1-12-17(18(27-30-12)14-9-5-6-10-15(14)22)19(29)24-20-25-26-21(32-20)31-11-16(28)23-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,23,28)(H,24,25,29)

InChI Key

HOCYDGIYBPKRLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05935290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.615

Distribution Coefficient, logD

4.553

Water Solubility, LogSw

-4.88

Polar Surface Area

92.121

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G856-2475 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G856-2475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-2475?
Check Price and Availability of G856-2475, 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 G856-2475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-2475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-2475
  • 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 G856-2475 available by request