V009-4846 Screening compound: 2-(3-chlorophenyl)-4-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V009-4846 Screening compound: 2-(3-chlorophenyl)-4-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V009-4846 Screening compound: 2-(3-chlorophenyl)-4-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4846
2-(3-chlorophenyl)-4-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)-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

V009-4846

Molecular Formula

C21H20Cl2N4O3 (C21 H20 Cl2 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(C(C(N1Cc(cccc2)c2Cl)=O)=NN(c2cc(Cl)ccc2)C1=O)=O

InChI

InChI=1S/C21H20Cl2N4O3/c1-13(2)11-24-19(28)18-20(29)26(12-14-6-3-4-9-17(14)23)21(30)27(25-18)16-8-5-7-15(22)10-16/h3-10,13H,11-12H2,1-2H3,(H,24,28)

InChI Key

UYIKLDIXKBTSAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19840953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.32

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

4.364

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.37

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

References: we are preparing a list of scientific research reports with V009-4846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4846?
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What is the minimum amount of V009-4846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4846
  • 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 V009-4846 available by request