V022-2781 Screening compound: N-(2-methylpropyl)-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V022-2781 Screening compound: N-(2-methylpropyl)-3,5-dioxo-2-[4-(propan-2-yl)phenyl]-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V022-2781 Screening compound: N-(2-methylpropyl)-3,5-dioxo-2-[4-(propan-2-yl)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 V022-2781
N-(2-methylpropyl)-3,5-dioxo-2-[4-(propan-2-yl)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

V022-2781

Molecular Formula

C25H27F3N4O3 (C25 H27 F3 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(C(C(N1Cc2cccc(C(F)(F)F)c2)=O)=NN(c2ccc(C(C)C)cc2)C1=O)=O

InChI

InChI=1S/C25H27F3N4O3/c1-15(2)13-29-22(33)21-23(34)31(14-17-6-5-7-19(12-17)25(26,27)28)24(35)32(30-21)20-10-8-18(9-11-20)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)

InChI Key

ZUIRDIQLZFOMSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19840516

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-5.46

Polar Surface Area

66.930

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with V022-2781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-2781?
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What is the minimum amount of V022-2781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-2781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-2781
  • 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 V022-2781 available by request