G729-1646 Screening compound: 3-{3-[(4-chlorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(2-methylphenyl)methyl]propanamide

G729-1646 Screening compound: 3-{3-[(4-chlorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(2-methylphenyl)methyl]propanamide
G729-1646 Screening compound: 3-{3-[(4-chlorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(2-methylphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G729-1646
3-{3-[(4-chlorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(2-methylphenyl)methyl]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

G729-1646

Molecular Formula

C20H20ClN3O4S (C20 H20 ClN3 O4 S)

Compound Name

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

IUPAC name

3-{3-[(4-chlorobenzenesulfonyl)methyl]-124-oxadiazol-5-yl}-N-[(2-methylphenyl)methyl]propanamide

SMILES

Cc1c(CNC(CCc2nc(CS(c(cc3)ccc3Cl)(=O)=O)no2)=O)cccc1

InChI

InChI=1S/C20H20ClN3O4S/c1-14-4-2-3-5-15(14)12-22-19(25)10-11-20-23-18(24-28-20)13-29(26,27)17-8-6-16(21)7-9-17/h2-9H,10-13H2,1H3,(H,22,25)

InChI Key

OPBKRYKEQYBGNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27154632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.92

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

3.567

Distribution Coefficient, logD

3.567

Water Solubility, LogSw

-4.00

Polar Surface Area

85.808

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with G729-1646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G729-1646?
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What is the minimum amount of G729-1646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G729-1646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G729-1646
  • 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 G729-1646 available by request