V010-4468 Screening compound: ethyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

V010-4468 Screening compound: ethyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
V010-4468 Screening compound: ethyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4468
ethyl 2-{[4,5-bis(2-chlorophenyl)-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

V010-4468

Molecular Formula

C19H17Cl2N3O2S (C19 H17 Cl2 N3 O2 S)

Compound Name

ethyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

IUPAC name

ethyl 2-{[45-bis(2-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}propanoate

SMILES

CCOC(C(C)Sc1nnc(-c(cccc2)c2Cl)n1-c(cccc1)c1Cl)=O

InChI

InChI=1S/C19H17Cl2N3O2S/c1-3-26-18(25)12(2)27-19-23-22-17(13-8-4-5-9-14(13)20)24(19)16-11-7-6-10-15(16)21/h4-12H,3H2,1-2H3/t12-/m0/s1

InChI Key

GDTJEPHYSABOER-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD19844405

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

422.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.186

Distribution Coefficient, logD

5.186

Water Solubility, LogSw

-5.36

Polar Surface Area

45.437

Acid Dissociation Constant (pKa)

17.21

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

V010-4468 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V010-4468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4468?
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What is the minimum amount of V010-4468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4468
  • 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 V010-4468 available by request