V022-9398 Screening compound: 2-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V022-9398 Screening compound: 2-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V022-9398 Screening compound: 2-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-9398
2-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(pyridin-3-yl)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

V022-9398

Molecular Formula

C24H20FN5O3 (C24 H20 FN5 O3)

Compound Name

2-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

2-(4-fluorophenyl)-4-[(3-methylphenyl)methyl]-35-dioxo-N-[(pyridin-3-yl)methyl]-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

Cc1cccc(CN(C(C(C(NCc2cnccc2)=O)=NN2c(cc3)ccc3F)=O)C2=O)c1

InChI

InChI=1S/C24H20FN5O3/c1-16-4-2-5-17(12-16)15-29-23(32)21(22(31)27-14-18-6-3-11-26-13-18)28-30(24(29)33)20-9-7-19(25)8-10-20/h2-13H,14-15H2,1H3,(H,27,31)

InChI Key

JNOJCNSVUNHATE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837882

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

445.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.098

Distribution Coefficient, logD

3.096

Water Solubility, LogSw

-2.96

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

12.50

V022-9398 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V022-9398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9398?
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What is the minimum amount of V022-9398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9398
  • 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 V022-9398 available by request