V022-1148 Screening compound: N-cyclopropyl-3,5-dioxo-2-phenyl-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V022-1148 Screening compound: N-cyclopropyl-3,5-dioxo-2-phenyl-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V022-1148 Screening compound: N-cyclopropyl-3,5-dioxo-2-phenyl-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 V022-1148
N-cyclopropyl-3,5-dioxo-2-phenyl-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

V022-1148

Molecular Formula

C21H17F3N4O3 (C21 H17 F3 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(C(N1Cc2cccc(C(F)(F)F)c2)=O)=NN(c2ccccc2)C1=O)NC1CC1

InChI

InChI=1S/C21H17F3N4O3/c22-21(23,24)14-6-4-5-13(11-14)12-27-19(30)17(18(29)25-15-9-10-15)26-28(20(27)31)16-7-2-1-3-8-16/h1-8,11,15H,9-10,12H2,(H,25,29)

InChI Key

PXDFAIMWHHWUDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834008

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

430.39

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

3.417

Distribution Coefficient, logD

3.414

Water Solubility, LogSw

-3.84

Polar Surface Area

66.715

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V022-1148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-1148?
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What is the minimum amount of V022-1148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-1148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-1148
  • 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 V022-1148 available by request