V022-9716 Screening compound: 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V022-9716 Screening compound: 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V022-9716 Screening compound: 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-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 V022-9716
2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-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

V022-9716

Molecular Formula

C23H23F3N4O6 (C23 H23 F3 N4 O6)

Compound Name

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

IUPAC name

2-(34-dimethoxyphenyl)-N-(2-methoxyethyl)-35-dioxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

COCCNC(C(C(N1Cc2cccc(C(F)(F)F)c2)=O)=NN(c(cc2)cc(OC)c2OC)C1=O)=O

InChI

InChI=1S/C23H23F3N4O6/c1-34-10-9-27-20(31)19-21(32)29(13-14-5-4-6-15(11-14)23(24,25)26)22(33)30(28-19)16-7-8-17(35-2)18(12-16)36-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,27,31)

InChI Key

PNKTYLYGRRPRFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19840617

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.562

Distribution Coefficient, logD

2.562

Water Solubility, LogSw

-3.05

Polar Surface Area

90.375

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V022-9716 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V022-9716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9716?
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What is the minimum amount of V022-9716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9716
  • 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 V022-9716 available by request