V015-1304 Screening compound: 1-(4-methylphenyl)-2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

V015-1304 Screening compound: 1-(4-methylphenyl)-2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
V015-1304 Screening compound: 1-(4-methylphenyl)-2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1304
1-(4-methylphenyl)-2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}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

V015-1304

Molecular Formula

C23H20N4OS (C23 H20 N4 OS)

Compound Name

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

IUPAC name

1-(4-methylphenyl)-2-{[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}ethan-1-one

SMILES

Cc(cc1)ccc1C(CSc1nnc(-c2ccncc2)n1-c1c(C)cccc1)=O

InChI

InChI=1S/C23H20N4OS/c1-16-7-9-18(10-8-16)21(28)15-29-23-26-25-22(19-11-13-24-14-12-19)27(23)20-6-4-3-5-17(20)2/h3-14H,15H2,1-2H3

InChI Key

CUROYXVUVMKBHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15581903

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

400.5

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

4.448

Distribution Coefficient, logD

4.448

Water Solubility, LogSw

-4.23

Polar Surface Area

47.087

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V015-1304 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V015-1304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1304?
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What is the minimum amount of V015-1304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1304
  • 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 V015-1304 available by request