G729-1618 Screening compound: 3-{3-[(4-chlorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(2,5-dimethylphenyl)methyl]propanamide

G729-1618 Screening compound: 3-{3-[(4-chlorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(2,5-dimethylphenyl)methyl]propanamide
G729-1618 Screening compound: 3-{3-[(4-chlorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(2,5-dimethylphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G729-1618
3-{3-[(4-chlorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(2,5-dimethylphenyl)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

G729-1618

Molecular Formula

C21H22ClN3O4S (C21 H22 ClN3 O4 S)

Compound Name

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

IUPAC name

3-{3-[(4-chlorobenzenesulfonyl)methyl]-124-oxadiazol-5-yl}-N-[(25-dimethylphenyl)methyl]propanamide

SMILES

Cc1cc(CNC(CCc2nc(CS(c(cc3)ccc3Cl)(=O)=O)no2)=O)c(C)cc1

InChI

InChI=1S/C21H22ClN3O4S/c1-14-3-4-15(2)16(11-14)12-23-20(26)9-10-21-24-19(25-29-21)13-30(27,28)18-7-5-17(22)6-8-18/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,26)

InChI Key

AVYMXHCVQCZLNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.94

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

3.994

Distribution Coefficient, logD

3.994

Water Solubility, LogSw

-4.42

Polar Surface Area

85.808

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with G729-1618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G729-1618?
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What is the minimum amount of G729-1618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G729-1618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G729-1618
  • 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 G729-1618 available by request