V022-9749 Screening compound: 2-(2-fluorophenyl)-3,5-dioxo-N-(propan-2-yl)-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V022-9749 Screening compound: 2-(2-fluorophenyl)-3,5-dioxo-N-(propan-2-yl)-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V022-9749 Screening compound: 2-(2-fluorophenyl)-3,5-dioxo-N-(propan-2-yl)-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 V022-9749
2-(2-fluorophenyl)-3,5-dioxo-N-(propan-2-yl)-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

V022-9749

Molecular Formula

C21H18F4N4O3 (C21 H18 F4 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(C(C(N1Cc2cc(C(F)(F)F)ccc2)=O)=NN(c(cccc2)c2F)C1=O)=O

InChI

InChI=1S/C21H18F4N4O3/c1-12(2)26-18(30)17-19(31)28(11-13-6-5-7-14(10-13)21(23,24)25)20(32)29(27-17)16-9-4-3-8-15(16)22/h3-10,12H,11H2,1-2H3,(H,26,30)

InChI Key

BYZOVBRKKXOTLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19838010

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.39

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

3.754

Distribution Coefficient, logD

3.754

Water Solubility, LogSw

-4.06

Polar Surface Area

65.603

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V022-9749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9749?
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What is the minimum amount of V022-9749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9749
  • 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 V022-9749 available by request