V002-4232 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-chlorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V002-4232 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-chlorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V002-4232 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-chlorophenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4232
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-chlorophenyl)-4-[(2-methylphenyl)methyl]-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

V002-4232

Molecular Formula

C26H21ClN4O5 (C26 H21 ClN4 O5)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(4-chlorophenyl)-4-[(2-methylphenyl)methyl]-35-dioxo-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

Cc1c(CN(C(C(C(NCc(cc2)cc3c2OCO3)=O)=NN2c(cc3)ccc3Cl)=O)C2=O)cccc1

InChI

InChI=1S/C26H21ClN4O5/c1-16-4-2-3-5-18(16)14-30-25(33)23(29-31(26(30)34)20-9-7-19(27)8-10-20)24(32)28-13-17-6-11-21-22(12-17)36-15-35-21/h2-12H,13-15H2,1H3,(H,28,32)

InChI Key

AXGSNVSSDYLHRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19839571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.777

Distribution Coefficient, logD

4.776

Water Solubility, LogSw

-4.82

Polar Surface Area

83.774

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with V002-4232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4232?
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What is the minimum amount of V002-4232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4232
  • 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 V002-4232 available by request