V002-1719 Screening compound: ethyl 1-{2-[5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-carboxylate

V002-1719 Screening compound: ethyl 1-{2-[5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-carboxylate
V002-1719 Screening compound: ethyl 1-{2-[5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1719
ethyl 1-{2-[5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-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

V002-1719

Molecular Formula

C26H30ClN3O3 (C26 H30 ClN3 O3)

Compound Name

ethyl 1-{2-[5-(4-chlorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{2-[5-(4-chlorophenyl)-3-(3-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-carboxylate

SMILES

CCOC(C1CN(CC(N(C(C2)c(cc3)ccc3Cl)N=C2c2cc(C)ccc2)=O)CCC1)=O

InChI

InChI=1S/C26H30ClN3O3/c1-3-33-26(32)21-8-5-13-29(16-21)17-25(31)30-24(19-9-11-22(27)12-10-19)15-23(28-30)20-7-4-6-18(2)14-20/h4,6-7,9-12,14,21,24H,3,5,8,13,15-17H2,1-2H3

InChI Key

KFMVWJRCNDAJBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19886972

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.863

Distribution Coefficient, logD

4.848

Water Solubility, LogSw

-5.06

Polar Surface Area

51.278

Acid Dissociation Constant (pKa)

18.65

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.30

V002-1719 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V002-1719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1719?
Check Price and Availability of V002-1719, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-1719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1719
  • 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 V002-1719 available by request