V002-4268 Screening compound: 2-(2-fluorophenyl)-3,5-dioxo-N-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V002-4268 Screening compound: 2-(2-fluorophenyl)-3,5-dioxo-N-phenyl-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V002-4268 Screening compound: 2-(2-fluorophenyl)-3,5-dioxo-N-phenyl-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 V002-4268
2-(2-fluorophenyl)-3,5-dioxo-N-phenyl-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

V002-4268

Molecular Formula

C24H16F4N4O3 (C24 H16 F4 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(C(N1Cc2ccc(C(F)(F)F)cc2)=O)=NN(c(cccc2)c2F)C1=O)Nc1ccccc1

InChI

InChI=1S/C24H16F4N4O3/c25-18-8-4-5-9-19(18)32-23(35)31(14-15-10-12-16(13-11-15)24(26,27)28)22(34)20(30-32)21(33)29-17-6-2-1-3-7-17/h1-13H,14H2,(H,29,33)

InChI Key

LANBNYBNLQZHBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19838173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.715

Distribution Coefficient, logD

4.673

Water Solubility, LogSw

-4.68

Polar Surface Area

65.035

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with V002-4268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4268?
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What is the minimum amount of V002-4268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4268
  • 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 V002-4268 available by request