V023-5794 Screening compound: 4-[(2-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V023-5794 Screening compound: 4-[(2-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V023-5794 Screening compound: 4-[(2-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-5794
4-[(2-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-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

V023-5794

Molecular Formula

C24H18ClFN4O3 (C24 H18 ClFN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(C(N1Cc(cccc2)c2Cl)=O)=NN(c2ccccc2)C1=O)NCc1cc(F)ccc1

InChI

InChI=1S/C24H18ClFN4O3/c25-20-12-5-4-8-17(20)15-29-23(32)21(22(31)27-14-16-7-6-9-18(26)13-16)28-30(24(29)33)19-10-2-1-3-11-19/h1-13H,14-15H2,(H,27,31)

InChI Key

ZKFKSELFSWWDHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19833674

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.88

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

4.177

Distribution Coefficient, logD

4.162

Water Solubility, LogSw

-4.38

Polar Surface Area

66.658

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with V023-5794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-5794?
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What is the minimum amount of V023-5794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-5794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-5794
  • 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 V023-5794 available by request