V021-8390 Screening compound: N-benzyl-4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V021-8390 Screening compound: N-benzyl-4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V021-8390 Screening compound: N-benzyl-4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8390
N-benzyl-4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-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

V021-8390

Molecular Formula

C24H18ClFN4O3 (C24 H18 ClFN4 O3)

Compound Name

N-benzyl-4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

N-benzyl-4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-35-dioxo-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

O=C(C(C(N1Cc2cccc(Cl)c2)=O)=NN(c(cccc2)c2F)C1=O)NCc1ccccc1

InChI

InChI=1S/C24H18ClFN4O3/c25-18-10-6-9-17(13-18)15-29-23(32)21(22(31)27-14-16-7-2-1-3-8-16)28-30(24(29)33)20-12-5-4-11-19(20)26/h1-13H,14-15H2,(H,27,31)

InChI Key

ATTIKZSBCZOOBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837793

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.88

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

4.313

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.61

Polar Surface Area

66.357

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with V021-8390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8390?
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What is the minimum amount of V021-8390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8390
  • 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 V021-8390 available by request