G729-0525 Screening compound: 3-(3-{[(4-CHLOROPHENYL)SULFONYL]METHYL}-1,2,4-OXADIAZOL-5-YL)-1-(2,3-DIHYDRO-1H-INDOL-1-YL)-1-PROPANONE

G729-0525 Screening compound: 3-(3-{[(4-CHLOROPHENYL)SULFONYL]METHYL}-1,2,4-OXADIAZOL-5-YL)-1-(2,3-DIHYDRO-1H-INDOL-1-YL)-1-PROPANONE
G729-0525 Screening compound: 3-(3-{[(4-CHLOROPHENYL)SULFONYL]METHYL}-1,2,4-OXADIAZOL-5-YL)-1-(2,3-DIHYDRO-1H-INDOL-1-YL)-1-PROPANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound G729-0525
3-(3-{[(4-CHLOROPHENYL)SULFONYL]METHYL}-1,2,4-OXADIAZOL-5-YL)-1-(2,3-DIHYDRO-1H-INDOL-1-YL)-1-PROPANONE

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

G729-0525

Molecular Formula

C20H18ClN3O4S (C20 H18 ClN3 O4 S)

Compound Name

3-(3-{[(4-CHLOROPHENYL)SULFONYL]METHYL}-1,2,4-OXADIAZOL-5-YL)-1-(2,3-DIHYDRO-1H-INDOL-1-YL)-1-PROPANONE

IUPAC name

3-{3-[(4-chlorobenzenesulfonyl)methyl]-124-oxadiazol-5-yl}-1-(23-dihydro-1H-indol-1-yl)propan-1-one

SMILES

O=C(CCc1nc(CS(c(cc2)ccc2Cl)(=O)=O)no1)N(CC1)c2c1cccc2

InChI

InChI=1S/C20H18ClN3O4S/c21-15-5-7-16(8-6-15)29(26,27)13-18-22-19(28-23-18)9-10-20(25)24-12-11-14-3-1-2-4-17(14)24/h1-8H,9-13H2

InChI Key

RIBXAWGRWBMKRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27154543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.363

Water Solubility, LogSw

-3.74

Polar Surface Area

76.760

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G729-0525 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G729-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G729-0525?
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What is the minimum amount of G729-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G729-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G729-0525
  • 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 G729-0525 available by request