V002-2805 Screening compound: ethyl 1-{2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-2-carboxylate

V002-2805 Screening compound: ethyl 1-{2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-2-carboxylate
V002-2805 Screening compound: ethyl 1-{2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-2805
ethyl 1-{2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-2-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

V002-2805

Molecular Formula

C26H30ClN3O4 (C26 H30 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C1N(CC(N(C(C2)c(cc3)ccc3Cl)N=C2c(cc2)ccc2OC)=O)CCCC1)=O

InChI

InChI=1S/C26H30ClN3O4/c1-3-34-26(32)23-6-4-5-15-29(23)17-25(31)30-24(19-7-11-20(27)12-8-19)16-22(28-30)18-9-13-21(33-2)14-10-18/h7-14,23-24H,3-6,15-17H2,1-2H3

InChI Key

NFPDJOGBBPFXCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19885960

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

483.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.865

Distribution Coefficient, logD

4.864

Water Solubility, LogSw

-5.15

Polar Surface Area

58.748

Acid Dissociation Constant (pKa)

18.65

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.30

V002-2805 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V002-2805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-2805?
Check Price and Availability of V002-2805, 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 V002-2805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-2805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-2805
  • 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 V002-2805 available by request