V002-4272 Screening compound: 2-(3,4-dimethylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V002-4272 Screening compound: 2-(3,4-dimethylphenyl)-3,5-dioxo-N-[(oxolan-2-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V002-4272 Screening compound: 2-(3,4-dimethylphenyl)-3,5-dioxo-N-[(oxolan-2-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 V002-4272
2-(3,4-dimethylphenyl)-3,5-dioxo-N-[(oxolan-2-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

V002-4272

Molecular Formula

C25H25F3N4O4 (C25 H25 F3 N4 O4)

Compound Name

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

IUPAC name

2-(34-dimethylphenyl)-35-dioxo-N-[(oxolan-2-yl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

Cc(cc1)c(C)cc1N(C(N1Cc2ccc(C(F)(F)F)cc2)=O)N=C(C(NCC2OCCC2)=O)C1=O

InChI

InChI=1S/C25H25F3N4O4/c1-15-5-10-19(12-16(15)2)32-24(35)31(14-17-6-8-18(9-7-17)25(26,27)28)23(34)21(30-32)22(33)29-13-20-4-3-11-36-20/h5-10,12,20H,3-4,11,13-14H2,1-2H3,(H,29,33)/t20-/m1/s1

InChI Key

HMDPNZQWLHORCL-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19836205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.49

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

4.211

Distribution Coefficient, logD

4.210

Water Solubility, LogSw

-4.24

Polar Surface Area

75.313

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

V002-4272 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V002-4272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4272?
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What is the minimum amount of V002-4272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4272
  • 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 V002-4272 available by request