A0062386 Screening compound: N-[(4-(3-methylphenyl)-5-{[2-oxo-2-(3-toluidino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-furamide

A0062386 Screening compound: N-[(4-(3-methylphenyl)-5-{[2-oxo-2-(3-toluidino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-furamide
A0062386 Screening compound: N-[(4-(3-methylphenyl)-5-{[2-oxo-2-(3-toluidino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062386
N-[(4-(3-methylphenyl)-5-{[2-oxo-2-(3-toluidino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-furamide

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

A0062386

Molecular Formula

C24H23N5O3S (C24 H23 N5 O3 S)

Compound Name

N-[(4-(3-methylphenyl)-5-{[2-oxo-2-(3-toluidino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-2-furamide

IUPAC name

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

SMILES

Cc1cccc(NC(CSc2nnc(CNC(c3ccco3)=O)n2-c2cc(C)ccc2)=O)c1

InChI

InChI=1S/C24H23N5O3S/c1-16-6-3-8-18(12-16)26-22(30)15-33-24-28-27-21(14-25-23(31)20-10-5-11-32-20)29(24)19-9-4-7-17(2)13-19/h3-13H,14-15H2,1-2H3,(H,25,31)(H,26,30)

InChI Key

KIRNDDZSCXHHOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.578

Distribution Coefficient, logD

3.578

Water Solubility, LogSw

-3.74

Polar Surface Area

82.101

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with A0062386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062386?
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What is the minimum amount of A0062386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062386
  • 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 A0062386 available by request