V010-0402 Screening compound: 2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide

V010-0402 Screening compound: 2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
V010-0402 Screening compound: 2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0402
2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-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

V010-0402

Molecular Formula

C27H21Cl3N6OS2 (C27 H21 Cl3 N6 OS2)

Compound Name

2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide

IUPAC name

2-({[4-(5-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-[2-(24-dichlorophenyl)ethyl]-13-thiazole-4-carboxamide

SMILES

Cc(ccc(Cl)c1)c1-n1c(SCc2nc(C(NCCc(ccc(Cl)c3)c3Cl)=O)cs2)nnc1-c1cnccc1

InChI

InChI=1S/C27H21Cl3N6OS2/c1-16-4-6-20(29)12-23(16)36-25(18-3-2-9-31-13-18)34-35-27(36)39-15-24-33-22(14-38-24)26(37)32-10-8-17-5-7-19(28)11-21(17)30/h2-7,9,11-14H,8,10,15H2,1H3,(H,32,37)

InChI Key

BHIVCWVLHPZLPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19729397

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

615.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.801

Distribution Coefficient, logD

6.797

Water Solubility, LogSw

-6.37

Polar Surface Area

68.685

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with V010-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0402?
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What is the minimum amount of V010-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0402
  • 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 V010-0402 available by request