A0062301 Screening compound: N-{[4-(4-ethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide

A0062301 Screening compound: N-{[4-(4-ethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
A0062301 Screening compound: N-{[4-(4-ethoxyphenyl)-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 A0062301
N-{[4-(4-ethoxyphenyl)-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

A0062301

Molecular Formula

C24H24N6O4S2 (C24 H24 N6 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-n1c(SCC(Nc2nccs2)=O)nnc1CNC(c1cc(OC)ccc1)=O

InChI

InChI=1S/C24H24N6O4S2/c1-3-34-18-9-7-17(8-10-18)30-20(14-26-22(32)16-5-4-6-19(13-16)33-2)28-29-24(30)36-15-21(31)27-23-25-11-12-35-23/h4-13H,3,14-15H2,1-2H3,(H,26,32)(H,25,27,31)

InChI Key

FDCNZWCKRLOHAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.191

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-3.57

Polar Surface Area

98.669

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with A0062301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062301?
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What is the minimum amount of A0062301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062301
  • 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 A0062301 available by request