V023-8694 Screening compound: 2-(2-fluorophenyl)-N-(2-methylpropyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V023-8694 Screening compound: 2-(2-fluorophenyl)-N-(2-methylpropyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V023-8694 Screening compound: 2-(2-fluorophenyl)-N-(2-methylpropyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-8694
2-(2-fluorophenyl)-N-(2-methylpropyl)-3,5-dioxo-4-{[3-(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

V023-8694

Molecular Formula

C22H20F4N4O3 (C22 H20 F4 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(C(C(N1Cc2cc(C(F)(F)F)ccc2)=O)=NN(c(cccc2)c2F)C1=O)=O

InChI

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

InChI Key

OMJMBDSSFXMLSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837818

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

3.999

Distribution Coefficient, logD

3.999

Water Solubility, LogSw

-4.19

Polar Surface Area

66.629

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V023-8694 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V023-8694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-8694?
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What is the minimum amount of V023-8694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-8694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-8694
  • 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 V023-8694 available by request