V010-4502 Screening compound: 2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

V010-4502 Screening compound: 2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
V010-4502 Screening compound: 2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4502
2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

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

V010-4502

Molecular Formula

C18H18Cl2N4O2S (C18 H18 Cl2 N4 O2 S)

Compound Name

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

IUPAC name

2-{[4-(34-dichlorophenyl)-5-(furan-2-yl)-4H-124-triazol-3-yl]sulfanyl}-NN-diethylacetamide

SMILES

CCN(CC)C(CSc1nnc(-c2ccco2)n1-c(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C18H18Cl2N4O2S/c1-3-23(4-2)16(25)11-27-18-22-21-17(15-6-5-9-26-15)24(18)12-7-8-13(19)14(20)10-12/h5-10H,3-4,11H2,1-2H3

InChI Key

QRZCUEYFOAAXOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844317

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

425.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.189

Distribution Coefficient, logD

4.189

Water Solubility, LogSw

-4.37

Polar Surface Area

48.967

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

V010-4502 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 V010-4502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4502?
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What is the minimum amount of V010-4502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4502
  • 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 V010-4502 available by request