A0062093 Screening compound: 3,4,5-trimethoxy-N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0062093 Screening compound: 3,4,5-trimethoxy-N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0062093 Screening compound: 3,4,5-trimethoxy-N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062093
3,4,5-trimethoxy-N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

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

A0062093

Molecular Formula

C25H26N6O6S2 (C25 H26 N6 O6 S2)

Compound Name

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

IUPAC name

345-trimethoxy-N-{[4-(2-methoxyphenyl)-5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}benzamide

SMILES

COc(cccc1)c1-n1c(SCC(Nc2nccs2)=O)nnc1CNC(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C25H26N6O6S2/c1-34-17-8-6-5-7-16(17)31-20(29-30-25(31)39-14-21(32)28-24-26-9-10-38-24)13-27-23(33)15-11-18(35-2)22(37-4)19(12-15)36-3/h5-12H,13-14H2,1-4H3,(H,27,33)(H,26,28,32)

InChI Key

LTHCLYDTXVKTFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.317

Distribution Coefficient, logD

2.317

Water Solubility, LogSw

-2.98

Polar Surface Area

114.309

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with A0062093 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of A0062093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062093
  • 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 A0062093 available by request