V011-0678 Screening compound: ethyl 1-{2-[3-(2-chlorophenyl)-5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-carboxylate

V011-0678 Screening compound: ethyl 1-{2-[3-(2-chlorophenyl)-5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-carboxylate
V011-0678 Screening compound: ethyl 1-{2-[3-(2-chlorophenyl)-5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-0678
ethyl 1-{2-[3-(2-chlorophenyl)-5-(2,4-dimethoxyphenyl)-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

V011-0678

Molecular Formula

C27H32ClN3O5 (C27 H32 ClN3 O5)

Compound Name

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

IUPAC name

ethyl 1-{2-[3-(2-chlorophenyl)-5-(24-dimethoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-carboxylate

SMILES

CCOC(C1CN(CC(N(C(C2)c(ccc(OC)c3)c3OC)N=C2c(cccc2)c2Cl)=O)CCC1)=O

InChI

InChI=1S/C27H32ClN3O5/c1-4-36-27(33)18-8-7-13-30(16-18)17-26(32)31-24(21-12-11-19(34-2)14-25(21)35-3)15-23(29-31)20-9-5-6-10-22(20)28/h5-6,9-12,14,18,24H,4,7-8,13,15-17H2,1-3H3

InChI Key

FWXLALUKGMQUJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19886612

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

514.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.421

Distribution Coefficient, logD

4.407

Water Solubility, LogSw

-4.61

Polar Surface Area

66.453

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.44

V011-0678 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 V011-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-0678?
Check Price and Availability of V011-0678, 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 V011-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-0678
  • 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 V011-0678 available by request