V003-1300 Screening compound: methyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

V003-1300 Screening compound: methyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
V003-1300 Screening compound: methyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1300
methyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-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

V003-1300

Molecular Formula

C19H18ClN3O2S (C19 H18 ClN3 O2 S)

Compound Name

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

IUPAC name

methyl 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}propanoate

SMILES

CC(C(OC)=O)Sc1nnc(-c(cccc2)c2Cl)n1-c1c(C)cccc1

InChI

InChI=1S/C19H18ClN3O2S/c1-12-8-4-7-11-16(12)23-17(14-9-5-6-10-15(14)20)21-22-19(23)26-13(2)18(24)25-3/h4-11,13H,1-3H3/t13-/m0/s1

InChI Key

LFPHWJLONKKGCR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD19844423

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

387.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.713

Distribution Coefficient, logD

4.713

Water Solubility, LogSw

-4.86

Polar Surface Area

45.857

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

V003-1300 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 V003-1300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1300?
Check Price and Availability of V003-1300, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V003-1300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1300
  • 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 V003-1300 available by request