V021-4860 Screening compound: 4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V021-4860 Screening compound: 4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V021-4860 Screening compound: 4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4860
4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2-[3-(trifluoromethyl)phenyl]-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

V021-4860

Molecular Formula

C22H20F4N4O3 (C22 H20 F4 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(C(C(N1Cc(cccc2)c2F)=O)=NN(c2cc(C(F)(F)F)ccc2)C1=O)=O

InChI

InChI=1S/C22H20F4N4O3/c1-13(2)11-27-19(31)18-20(32)29(12-14-6-3-4-9-17(14)23)21(33)30(28-18)16-8-5-7-15(10-16)22(24,25)26/h3-10,13H,11-12H2,1-2H3,(H,27,31)

InChI Key

ONJPESTWNOIHDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837354

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.42

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

4.237

Distribution Coefficient, logD

4.237

Water Solubility, LogSw

-4.28

Polar Surface Area

66.930

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V021-4860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-4860?
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What is the minimum amount of V021-4860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4860
  • 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 V021-4860 available by request