V021-4787 Screening compound: 4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V021-4787 Screening compound: 4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V021-4787 Screening compound: 4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4787
4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2-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

V021-4787

Molecular Formula

C21H21ClN4O3 (C21 H21 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(C(C(N1Cc2cccc(Cl)c2)=O)=NN(c2ccccc2)C1=O)=O

InChI

InChI=1S/C21H21ClN4O3/c1-14(2)12-23-19(27)18-20(28)25(13-15-7-6-8-16(22)11-15)21(29)26(24-18)17-9-4-3-5-10-17/h3-11,14H,12-13H2,1-2H3,(H,23,27)

InChI Key

OCAPQIKUPJLRAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19833688

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

412.88

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

3.769

Distribution Coefficient, logD

3.769

Water Solubility, LogSw

-4.16

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

23.80

V021-4787 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 V021-4787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-4787?
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What is the minimum amount of V021-4787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4787
  • 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 V021-4787 available by request