A0062411 Screening compound: N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

A0062411 Screening compound: N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
A0062411 Screening compound: N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062411
N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide

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

A0062411

Molecular Formula

C20H18N6O4S2 (C20 H18 N6 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1-n1c(SCC(Nc2nccs2)=O)nnc1CNC(c1ccco1)=O

InChI

InChI=1S/C20H18N6O4S2/c1-29-14-6-3-2-5-13(14)26-16(11-22-18(28)15-7-4-9-30-15)24-25-20(26)32-12-17(27)23-19-21-8-10-31-19/h2-10H,11-12H2,1H3,(H,22,28)(H,21,23,27)

InChI Key

UKPISHGIOFHYAZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.693

Distribution Coefficient, logD

1.693

Water Solubility, LogSw

-2.25

Polar Surface Area

99.909

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with A0062411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062411?
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What is the minimum amount of A0062411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062411
  • 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 A0062411 available by request