V021-9135 Screening compound: 2-(3,4-dimethoxyphenyl)-3,5-dioxo-N-(1-phenylethyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V021-9135 Screening compound: 2-(3,4-dimethoxyphenyl)-3,5-dioxo-N-(1-phenylethyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V021-9135 Screening compound: 2-(3,4-dimethoxyphenyl)-3,5-dioxo-N-(1-phenylethyl)-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 V021-9135
2-(3,4-dimethoxyphenyl)-3,5-dioxo-N-(1-phenylethyl)-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

V021-9135

Molecular Formula

C28H25F3N4O5 (C28 H25 F3 N4 O5)

Compound Name

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

IUPAC name

2-(34-dimethoxyphenyl)-35-dioxo-N-(1-phenylethyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

CC(c1ccccc1)NC(C(C(N1Cc2cccc(C(F)(F)F)c2)=O)=NN(c(cc2)cc(OC)c2OC)C1=O)=O

InChI

InChI=1S/C28H25F3N4O5/c1-17(19-9-5-4-6-10-19)32-25(36)24-26(37)34(16-18-8-7-11-20(14-18)28(29,30)31)27(38)35(33-24)21-12-13-22(39-2)23(15-21)40-3/h4-15,17H,16H2,1-3H3,(H,32,36)/t17-/m0/s1

InChI Key

HBVJLWWUKIHNHW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19840484

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

554.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.515

Distribution Coefficient, logD

4.500

Water Solubility, LogSw

-4.43

Polar Surface Area

81.082

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

V021-9135 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V021-9135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-9135?
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What is the minimum amount of V021-9135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-9135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9135
  • 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 V021-9135 available by request