V022-1842 Screening compound: 2-(3-chloro-4-methylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V022-1842 Screening compound: 2-(3-chloro-4-methylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V022-1842 Screening compound: 2-(3-chloro-4-methylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-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 V022-1842
2-(3-chloro-4-methylphenyl)-3,5-dioxo-N-[(pyridin-3-yl)methyl]-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

V022-1842

Molecular Formula

C25H19ClF3N5O3 (C25 H19 ClF3 N5 O3)

Compound Name

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

IUPAC name

2-(3-chloro-4-methylphenyl)-35-dioxo-N-[(pyridin-3-yl)methyl]-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(NCc2cnccc2)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C25H19ClF3N5O3/c1-15-4-9-19(11-20(15)26)34-24(37)33(14-16-5-7-18(8-6-16)25(27,28)29)23(36)21(32-34)22(35)31-13-17-3-2-10-30-12-17/h2-12H,13-14H2,1H3,(H,31,35)

InChI Key

RPUGPOUQUJVGTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19835046

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.555

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-4.64

Polar Surface Area

76.176

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V022-1842 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V022-1842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-1842?
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What is the minimum amount of V022-1842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-1842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-1842
  • 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 V022-1842 available by request