A0062202 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide

A0062202 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide
A0062202 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062202
N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide

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

A0062202

Molecular Formula

C26H28N6O5S2 (C26 H28 N6 O5 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}-3,4,5-trimethoxybenzamide

IUPAC name

N-{[4-(25-dimethylphenyl)-5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}-345-trimethoxybenzamide

SMILES

Cc1cc(-n2c(SCC(Nc3nccs3)=O)nnc2CNC(c(cc2OC)cc(OC)c2OC)=O)c(C)cc1

InChI

InChI=1S/C26H28N6O5S2/c1-15-6-7-16(2)18(10-15)32-21(30-31-26(32)39-14-22(33)29-25-27-8-9-38-25)13-28-24(34)17-11-19(35-3)23(37-5)20(12-17)36-4/h6-12H,13-14H2,1-5H3,(H,28,34)(H,27,29,33)

InChI Key

ZPLOOLNERQNXKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.473

Distribution Coefficient, logD

3.473

Water Solubility, LogSw

-3.84

Polar Surface Area

106.678

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

A0062202 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with A0062202 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of A0062202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062202
  • 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 A0062202 available by request