V003-4065 Screening compound: 3,4-bis(2-chlorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

V003-4065 Screening compound: 3,4-bis(2-chlorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
V003-4065 Screening compound: 3,4-bis(2-chlorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4065
3,4-bis(2-chlorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

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

V003-4065

Molecular Formula

C22H17Cl2N3OS (C22 H17 Cl2 N3 OS)

Compound Name

3,4-bis(2-chlorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

IUPAC name

34-bis(2-chlorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4H-124-triazole

SMILES

COc1c(CSc2nnc(-c(cccc3)c3Cl)n2-c(cccc2)c2Cl)cccc1

InChI

InChI=1S/C22H17Cl2N3OS/c1-28-20-13-7-2-8-15(20)14-29-22-26-25-21(16-9-3-4-10-17(16)23)27(22)19-12-6-5-11-18(19)24/h2-13H,14H2,1H3

InChI Key

CVQVWTMJYDIIRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844413

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

442.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.116

Distribution Coefficient, logD

6.116

Water Solubility, LogSw

-6.07

Polar Surface Area

32.042

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with V003-4065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4065?
Check Price and Availability of V003-4065, 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 V003-4065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4065
  • 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 V003-4065 available by request