V002-4195 Screening compound: ethyl 1-[2-(3-chloro-4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate

V002-4195 Screening compound: ethyl 1-[2-(3-chloro-4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate
V002-4195 Screening compound: ethyl 1-[2-(3-chloro-4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4195
ethyl 1-[2-(3-chloro-4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate

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

V002-4195

Molecular Formula

C27H26ClF3N4O5 (C27 H26 ClF3 N4 O5)

Compound Name

ethyl 1-[2-(3-chloro-4-methylphenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[2-(3-chloro-4-methylphenyl)-35-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-124-triazine-6-carbonyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(C(C(N1Cc2ccc(C(F)(F)F)cc2)=O)=NN(c2cc(Cl)c(C)cc2)C1=O)=O)=O

InChI

InChI=1S/C27H26ClF3N4O5/c1-3-40-25(38)18-10-12-33(13-11-18)23(36)22-24(37)34(15-17-5-7-19(8-6-17)27(29,30)31)26(39)35(32-22)20-9-4-16(2)21(28)14-20/h4-9,14,18H,3,10-13,15H2,1-2H3

InChI Key

YXGGXNUQMUQLAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19840116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.98

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.282

Distribution Coefficient, logD

5.282

Water Solubility, LogSw

-5.93

Polar Surface Area

79.647

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V002-4195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4195?
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What is the minimum amount of V002-4195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4195
  • 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 V002-4195 available by request