A0062336 Screening compound: N-{[4-(2,5-dimethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide

A0062336 Screening compound: N-{[4-(2,5-dimethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide
A0062336 Screening compound: N-{[4-(2,5-dimethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062336
N-{[4-(2,5-dimethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide

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

A0062336

Molecular Formula

C29H34N6O7S2 (C29 H34 N6 O7 S2)

Compound Name

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

IUPAC name

N-{[4-(25-dimethoxyphenyl)-5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}-345-triethoxybenzamide

SMILES

CCOc1cc(C(NCc(n2-c(cc(cc3)OC)c3OC)nnc2SCC(Nc2nccs2)=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C29H34N6O7S2/c1-6-40-22-13-18(14-23(41-7-2)26(22)42-8-3)27(37)31-16-24-33-34-29(44-17-25(36)32-28-30-11-12-43-28)35(24)20-15-19(38-4)9-10-21(20)39-5/h9-15H,6-8,16-17H2,1-5H3,(H,31,37)(H,30,32,36)

InChI Key

CYMCNTJIEGMNPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

642.76

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.590

Distribution Coefficient, logD

3.589

Water Solubility, LogSw

-3.98

Polar Surface Area

120.592

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with A0062336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062336?
Check Price and Availability of A0062336, 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 A0062336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062336
  • 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 A0062336 available by request