V006-1823 Screening compound: ethyl 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

V006-1823 Screening compound: ethyl 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
V006-1823 Screening compound: ethyl 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-1823
ethyl 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

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

V006-1823

Molecular Formula

C18H18ClN3O3S (C18 H18 ClN3 O3 S)

Compound Name

ethyl 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

IUPAC name

ethyl 2-{[4-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-4H-124-triazol-3-yl]sulfanyl}propanoate

SMILES

CCOC(C(C)Sc1nnc(-c2ccco2)n1-c1c(C)ccc(Cl)c1)=O

InChI

InChI=1S/C18H18ClN3O3S/c1-4-24-17(23)12(3)26-18-21-20-16(15-6-5-9-25-15)22(18)14-10-13(19)8-7-11(14)2/h5-10,12H,4H2,1-3H3/t12-/m0/s1

InChI Key

QZVSUBDMDONGKY-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD19844336

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

391.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.571

Distribution Coefficient, logD

4.569

Water Solubility, LogSw

-4.57

Polar Surface Area

54.015

Acid Dissociation Constant (pKa)

17.60

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

V006-1823 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V006-1823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-1823?
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What is the minimum amount of V006-1823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-1823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-1823
  • 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 V006-1823 available by request