G729-1260 Screening compound: 3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(1-phenylethyl)propanamide

G729-1260 Screening compound: 3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(1-phenylethyl)propanamide
G729-1260 Screening compound: 3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(1-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G729-1260
3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(1-phenylethyl)propanamide

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

G729-1260

Molecular Formula

C20H20FN3O4S (C20 H20 FN3 O4 S)

Compound Name

3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(1-phenylethyl)propanamide

IUPAC name

3-{3-[(4-fluorobenzenesulfonyl)methyl]-124-oxadiazol-5-yl}-N-(1-phenylethyl)propanamide

SMILES

CC(c1ccccc1)NC(CCc1nc(CS(c(cc2)ccc2F)(=O)=O)no1)=O

InChI

InChI=1S/C20H20FN3O4S/c1-14(15-5-3-2-4-6-15)22-19(25)11-12-20-23-18(24-28-20)13-29(26,27)17-9-7-16(21)8-10-17/h2-10,14H,11-13H2,1H3,(H,22,25)/t14-/m0/s1

InChI Key

WIDFIYWTQOIKDV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27154615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.470

Distribution Coefficient, logD

2.470

Water Solubility, LogSw

-2.72

Polar Surface Area

84.971

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G729-1260 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G729-1260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G729-1260?
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What is the minimum amount of G729-1260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G729-1260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G729-1260
  • 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 G729-1260 available by request