V013-6578 Screening compound: N-benzyl-2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

V013-6578 Screening compound: N-benzyl-2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
V013-6578 Screening compound: N-benzyl-2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6578
N-benzyl-2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

V013-6578

Molecular Formula

C23H18Cl2N4OS (C23 H18 Cl2 N4 OS)

Compound Name

N-benzyl-2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-benzyl-2-{[45-bis(2-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nnc(-c(cccc2)c2Cl)n1-c(cccc1)c1Cl)NCc1ccccc1

InChI

InChI=1S/C23H18Cl2N4OS/c24-18-11-5-4-10-17(18)22-27-28-23(29(22)20-13-7-6-12-19(20)25)31-15-21(30)26-14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,26,30)

InChI Key

QAIDQZIGYKDEFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844418

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

469.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.091

Distribution Coefficient, logD

5.091

Water Solubility, LogSw

-5.24

Polar Surface Area

48.883

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

V013-6578 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-6578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6578?
Check Price and Availability of V013-6578, 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 V013-6578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6578
  • 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 V013-6578 available by request