V004-7075 Screening compound: 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one

V004-7075 Screening compound: 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
V004-7075 Screening compound: 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7075
2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one

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

V004-7075

Molecular Formula

C23H17Cl2N3OS (C23 H17 Cl2 N3 OS)

Compound Name

2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one

IUPAC name

2-{[45-bis(2-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one

SMILES

Cc(cc1)ccc1C(CSc1nnc(-c(cccc2)c2Cl)n1-c(cccc1)c1Cl)=O

InChI

InChI=1S/C23H17Cl2N3OS/c1-15-10-12-16(13-11-15)21(29)14-30-23-27-26-22(17-6-2-3-7-18(17)24)28(23)20-9-5-4-8-19(20)25/h2-13H,14H2,1H3

InChI Key

UPMOVSYAMKUVTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844400

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.961

Distribution Coefficient, logD

5.961

Water Solubility, LogSw

-5.81

Polar Surface Area

37.659

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

V004-7075 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V004-7075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7075?
Check Price and Availability of V004-7075, 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 V004-7075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7075
  • 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 V004-7075 available by request