V002-4254 Screening compound: 2-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V002-4254 Screening compound: 2-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V002-4254 Screening compound: 2-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4254
2-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-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

V002-4254

Molecular Formula

C26H19ClF4N4O3 (C26 H19 ClF4 N4 O3)

Compound Name

2-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

2-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-35-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

Cc(ccc(N(C(N1Cc2ccc(C(F)(F)F)cc2)=O)N=C(C(NCc(cc2)ccc2F)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C26H19ClF4N4O3/c1-15-2-11-20(12-21(15)27)35-25(38)34(14-17-3-7-18(8-4-17)26(29,30)31)24(37)22(33-35)23(36)32-13-16-5-9-19(28)10-6-16/h2-12H,13-14H2,1H3,(H,32,36)

InChI Key

BTCYIBZKACKRBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19835200

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.812

Distribution Coefficient, logD

5.775

Water Solubility, LogSw

-6.07

Polar Surface Area

66.658

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

V002-4254 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V002-4254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4254?
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What is the minimum amount of V002-4254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4254
  • 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 V002-4254 available by request