A0062315 Screening compound: 3,4-dimethoxy-N-{[4-(3-methylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0062315 Screening compound: 3,4-dimethoxy-N-{[4-(3-methylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0062315 Screening compound: 3,4-dimethoxy-N-{[4-(3-methylphenyl)-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 A0062315
3,4-dimethoxy-N-{[4-(3-methylphenyl)-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

A0062315

Molecular Formula

C24H24N6O4S2 (C24 H24 N6 O4 S2)

Compound Name

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

IUPAC name

34-dimethoxy-N-{[4-(3-methylphenyl)-5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}benzamide

SMILES

Cc1cccc(-n2c(SCC(Nc3nccs3)=O)nnc2CNC(c(cc2)cc(OC)c2OC)=O)c1

InChI

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

InChI Key

KIQCLNTZAWMACY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112498

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

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

2.851

Water Solubility, LogSw

-3.37

Polar Surface Area

99.262

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with A0062315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062315?
Check Price and Availability of A0062315, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of A0062315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062315
  • 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 A0062315 available by request