V021-8387 Screening compound: N-benzyl-2-(3-fluorophenyl)-N-methyl-4-[(4-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V021-8387 Screening compound: N-benzyl-2-(3-fluorophenyl)-N-methyl-4-[(4-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V021-8387 Screening compound: N-benzyl-2-(3-fluorophenyl)-N-methyl-4-[(4-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8387
N-benzyl-2-(3-fluorophenyl)-N-methyl-4-[(4-methylphenyl)methyl]-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

V021-8387

Molecular Formula

C26H23FN4O3 (C26 H23 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(C(C(C(N(C)Cc2ccccc2)=O)=NN2c3cccc(F)c3)=O)C2=O)cc1

InChI

InChI=1S/C26H23FN4O3/c1-18-11-13-20(14-12-18)17-30-25(33)23(24(32)29(2)16-19-7-4-3-5-8-19)28-31(26(30)34)22-10-6-9-21(27)15-22/h3-15H,16-17H2,1-2H3

InChI Key

SCRGALAHBHUZSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19835146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.479

Distribution Coefficient, logD

4.479

Water Solubility, LogSw

-4.43

Polar Surface Area

58.395

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with V021-8387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8387?
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What is the minimum amount of V021-8387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8387
  • 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 V021-8387 available by request