V002-6619 Screening compound: 1-(2-methylphenyl)-5-(2-phenylethyl)-N-[(pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide

V002-6619 Screening compound: 1-(2-methylphenyl)-5-(2-phenylethyl)-N-[(pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
V002-6619 Screening compound: 1-(2-methylphenyl)-5-(2-phenylethyl)-N-[(pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6619
1-(2-methylphenyl)-5-(2-phenylethyl)-N-[(pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide

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

V002-6619

Molecular Formula

C24H23N5O (C24 H23 N5 O)

Compound Name

1-(2-methylphenyl)-5-(2-phenylethyl)-N-[(pyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide

IUPAC name

1-(2-methylphenyl)-5-(2-phenylethyl)-N-[(pyridin-2-yl)methyl]-1H-124-triazole-3-carboxamide

SMILES

Cc(cccc1)c1-n1nc(C(NCc2ncccc2)=O)nc1CCc1ccccc1

InChI

InChI=1S/C24H23N5O/c1-18-9-5-6-13-21(18)29-22(15-14-19-10-3-2-4-11-19)27-23(28-29)24(30)26-17-20-12-7-8-16-25-20/h2-13,16H,14-15,17H2,1H3,(H,26,30)

InChI Key

OHDWMPVMWNRSFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14287664

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.30

Polar Surface Area

58.521

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V002-6619 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 V002-6619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6619?
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What is the minimum amount of V002-6619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6619
  • 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 V002-6619 available by request