V014-4164 Screening compound: 2-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(1,2-diphenylethyl)-1,3-thiazole-4-carboxamide

V014-4164 Screening compound: 2-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(1,2-diphenylethyl)-1,3-thiazole-4-carboxamide
V014-4164 Screening compound: 2-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(1,2-diphenylethyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4164
2-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(1,2-diphenylethyl)-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

V014-4164

Molecular Formula

C31H23Cl2N5O2S2 (C31 H23 Cl2 N5 O2 S2)

Compound Name

2-({[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(1,2-diphenylethyl)-1,3-thiazole-4-carboxamide

IUPAC name

2-({[4-(34-dichlorophenyl)-5-(furan-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-(12-diphenylethyl)-13-thiazole-4-carboxamide

SMILES

O=C(c1csc(CSc2nnc(-c3ccco3)n2-c(cc2)cc(Cl)c2Cl)n1)NC(Cc1ccccc1)c1ccccc1

InChI

InChI=1S/C31H23Cl2N5O2S2/c32-23-14-13-22(17-24(23)33)38-29(27-12-7-15-40-27)36-37-31(38)42-19-28-34-26(18-41-28)30(39)35-25(21-10-5-2-6-11-21)16-20-8-3-1-4-9-20/h1-15,17-18,25H,16,19H2,(H,35,39)/t25-/m0/s1

InChI Key

RIMAFQPJWBSOAH-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19733121

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

632.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.817

Distribution Coefficient, logD

7.817

Water Solubility, LogSw

-6.68

Polar Surface Area

67.564

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.70

V014-4164 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V014-4164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4164?
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What is the minimum amount of V014-4164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4164
  • 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 V014-4164 available by request