V021-4806 Screening compound: 4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V021-4806 Screening compound: 4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V021-4806 Screening compound: 4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-N-(1-phenylethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4806
4-[(3-chlorophenyl)methyl]-3,5-dioxo-2-phenyl-N-(1-phenylethyl)-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

V021-4806

Molecular Formula

C25H21ClN4O3 (C25 H21 ClN4 O3)

Compound Name

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

IUPAC name

4-[(3-chlorophenyl)methyl]-35-dioxo-2-phenyl-N-(1-phenylethyl)-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

CC(c1ccccc1)NC(C(C(N1Cc2cccc(Cl)c2)=O)=NN(c2ccccc2)C1=O)=O

InChI

InChI=1S/C25H21ClN4O3/c1-17(19-10-4-2-5-11-19)27-23(31)22-24(32)29(16-18-9-8-12-20(26)15-18)25(33)30(28-22)21-13-6-3-7-14-21/h2-15,17H,16H2,1H3,(H,27,31)/t17-/m0/s1

InChI Key

VLZBKVFGVXIZOR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19840809

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.92

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

4.630

Distribution Coefficient, logD

4.615

Water Solubility, LogSw

-4.77

Polar Surface Area

65.821

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with V021-4806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-4806?
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What is the minimum amount of V021-4806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4806
  • 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 V021-4806 available by request