V010-4316 Screening compound: 4-[(2-chlorophenyl)methyl]-2-(4-methylphenyl)-6-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

V010-4316 Screening compound: 4-[(2-chlorophenyl)methyl]-2-(4-methylphenyl)-6-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
V010-4316 Screening compound: 4-[(2-chlorophenyl)methyl]-2-(4-methylphenyl)-6-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4316
4-[(2-chlorophenyl)methyl]-2-(4-methylphenyl)-6-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

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

V010-4316

Molecular Formula

C22H21ClN4O3 (C22 H21 ClN4 O3)

Compound Name

4-[(2-chlorophenyl)methyl]-2-(4-methylphenyl)-6-(pyrrolidine-1-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

IUPAC name

4-[(2-chlorophenyl)methyl]-2-(4-methylphenyl)-6-(pyrrolidine-1-carbonyl)-2345-tetrahydro-124-triazine-35-dione

SMILES

Cc(cc1)ccc1N(C(N1Cc(cccc2)c2Cl)=O)N=C(C(N2CCCC2)=O)C1=O

InChI

InChI=1S/C22H21ClN4O3/c1-15-8-10-17(11-9-15)27-22(30)26(14-16-6-2-3-7-18(16)23)21(29)19(24-27)20(28)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3

InChI Key

BDFITHJNYDZBPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19836410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.857

Distribution Coefficient, logD

3.857

Water Solubility, LogSw

-3.99

Polar Surface Area

59.259

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V010-4316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4316?
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What is the minimum amount of V010-4316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4316
  • 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 V010-4316 available by request