G944-0634 Screening compound: 1-cyclopentyl-5-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole

G944-0634 Screening compound: 1-cyclopentyl-5-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole
G944-0634 Screening compound: 1-cyclopentyl-5-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G944-0634
1-cyclopentyl-5-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole

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

G944-0634

Molecular Formula

C22H23N5O3S (C22 H23 N5 O3 S)

Compound Name

1-cyclopentyl-5-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole

IUPAC name

1-cyclopentyl-5-{5-[2-(4-methylbenzenesulfonyl)ethyl]-124-oxadiazol-3-yl}-1H-123-benzotriazole

SMILES

Cc(cc1)ccc1S(CCc1nc(-c(cc2)cc3c2n(C2CCCC2)nn3)no1)(=O)=O

InChI

InChI=1S/C22H23N5O3S/c1-15-6-9-18(10-7-15)31(28,29)13-12-21-23-22(25-30-21)16-8-11-20-19(14-16)24-26-27(20)17-4-2-3-5-17/h6-11,14,17H,2-5,12-13H2,1H3

InChI Key

KVTFPBGWJQHPPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.267

Distribution Coefficient, logD

4.267

Water Solubility, LogSw

-4.31

Polar Surface Area

86.107

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G944-0634 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G944-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G944-0634?
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What is the minimum amount of G944-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G944-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G944-0634
  • 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 G944-0634 available by request