V002-3958 Screening compound: N-(3-methoxypropyl)-2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V002-3958 Screening compound: N-(3-methoxypropyl)-2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V002-3958 Screening compound: N-(3-methoxypropyl)-2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-3958
N-(3-methoxypropyl)-2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-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

V002-3958

Molecular Formula

C23H23F3N4O4 (C23 H23 F3 N4 O4)

Compound Name

N-(3-methoxypropyl)-2-(3-methylphenyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

N-(3-methoxypropyl)-2-(3-methylphenyl)-35-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

Cc1cccc(N(C(N2Cc3cccc(C(F)(F)F)c3)=O)N=C(C(NCCCOC)=O)C2=O)c1

InChI

InChI=1S/C23H23F3N4O4/c1-15-6-3-9-18(12-15)30-22(33)29(14-16-7-4-8-17(13-16)23(24,25)26)21(32)19(28-30)20(31)27-10-5-11-34-2/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,27,31)

InChI Key

ZRKMKGPFROBWDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837177

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.603

Distribution Coefficient, logD

3.603

Water Solubility, LogSw

-3.82

Polar Surface Area

75.114

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with V002-3958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-3958?
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What is the minimum amount of V002-3958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-3958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-3958
  • 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 V002-3958 available by request