G729-0951 Screening compound: ethyl 3-(3-{3-[(4-methylbenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate

G729-0951 Screening compound: ethyl 3-(3-{3-[(4-methylbenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate
G729-0951 Screening compound: ethyl 3-(3-{3-[(4-methylbenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G729-0951
ethyl 3-(3-{3-[(4-methylbenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)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

G729-0951

Molecular Formula

C22H23N3O6S (C22 H23 N3 O6 S)

Compound Name

ethyl 3-(3-{3-[(4-methylbenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate

IUPAC name

ethyl 3-(3-{3-[(4-methylbenzenesulfonyl)methyl]-124-oxadiazol-5-yl}propanamido)benzoate

SMILES

CCOC(c1cccc(NC(CCc2nc(CS(c3ccc(C)cc3)(=O)=O)no2)=O)c1)=O

InChI

InChI=1S/C22H23N3O6S/c1-3-30-22(27)16-5-4-6-17(13-16)23-20(26)11-12-21-24-19(25-31-21)14-32(28,29)18-9-7-15(2)8-10-18/h4-10,13H,3,11-12,14H2,1-2H3,(H,23,26)

InChI Key

AOKXMXFXDUZINB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.589

Distribution Coefficient, logD

3.589

Water Solubility, LogSw

-3.70

Polar Surface Area

105.240

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G729-0951 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G729-0951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G729-0951?
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What is the minimum amount of G729-0951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G729-0951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G729-0951
  • 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 G729-0951 available by request