V011-6061 Screening compound: ethyl 2-{[4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

V011-6061 Screening compound: ethyl 2-{[4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
V011-6061 Screening compound: ethyl 2-{[4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-6061
ethyl 2-{[4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

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

V011-6061

Molecular Formula

C20H21N3O3S (C20 H21 N3 O3 S)

Compound Name

ethyl 2-{[4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[4-(4-methoxyphenyl)-5-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}acetate

SMILES

CCOC(CSc1nnc(-c2c(C)cccc2)n1-c(cc1)ccc1OC)=O

InChI

InChI=1S/C20H21N3O3S/c1-4-26-18(24)13-27-20-22-21-19(17-8-6-5-7-14(17)2)23(20)15-9-11-16(25-3)12-10-15/h5-12H,4,13H2,1-3H3

InChI Key

GVWUJRDQHIAJCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844696

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.064

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-4.17

Polar Surface Area

52.687

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V011-6061 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 V011-6061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-6061?
Check Price and Availability of V011-6061, 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 V011-6061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-6061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-6061
  • 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 V011-6061 available by request