V002-3970 Screening compound: 4-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V002-3970 Screening compound: 4-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V002-3970 Screening compound: 4-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-3970
4-[(2-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)-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

V002-3970

Molecular Formula

C25H20ClFN4O3 (C25 H20 ClFN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(N(C(N2Cc(cccc3)c3Cl)=O)N=C(C(NCc(cc3)ccc3F)=O)C2=O)c1

InChI

InChI=1S/C25H20ClFN4O3/c1-16-5-4-7-20(13-16)31-25(34)30(15-18-6-2-3-8-21(18)26)24(33)22(29-31)23(32)28-14-17-9-11-19(27)12-10-17/h2-13H,14-15H2,1H3,(H,28,32)

InChI Key

MCARXSBYJYYKAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834566

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

478.91

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

4.666

Distribution Coefficient, logD

4.630

Water Solubility, LogSw

-4.80

Polar Surface Area

66.658

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with V002-3970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-3970?
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What is the minimum amount of V002-3970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-3970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-3970
  • 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 V002-3970 available by request