A0062297 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide

A0062297 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
A0062297 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062297
N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide

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

A0062297

Molecular Formula

C24H24N6O3S2 (C24 H24 N6 O3 S2)

Compound Name

N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide

IUPAC name

N-{[4-(25-dimethylphenyl)-5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}-3-methoxybenzamide

SMILES

Cc1cc(-n2c(SCC(Nc3nccs3)=O)nnc2CNC(c2cc(OC)ccc2)=O)c(C)cc1

InChI

InChI=1S/C24H24N6O3S2/c1-15-7-8-16(2)19(11-15)30-20(13-26-22(32)17-5-4-6-18(12-17)33-3)28-29-24(30)35-14-21(31)27-23-25-9-10-34-23/h4-12H,13-14H2,1-3H3,(H,26,32)(H,25,27,31)

InChI Key

BLVJHEIZWUIICI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

3.754

Water Solubility, LogSw

-4.04

Polar Surface Area

91.244

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with A0062297 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062297
  • 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 A0062297 available by request