V022-5361 Screening compound: 1-{2-[3-(2,5-dimethylphenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-4-carboxamide

V022-5361 Screening compound: 1-{2-[3-(2,5-dimethylphenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-4-carboxamide
V022-5361 Screening compound: 1-{2-[3-(2,5-dimethylphenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-5361
1-{2-[3-(2,5-dimethylphenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-4-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

V022-5361

Molecular Formula

C27H34N4O3 (C27 H34 N4 O3)

Compound Name

1-{2-[3-(2,5-dimethylphenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-4-carboxamide

IUPAC name

1-{2-[3-(25-dimethylphenyl)-5-(4-ethoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-4-carboxamide

SMILES

CCOc1ccc(C(C2)N(C(CN(CC3)CCC3C(N)=O)=O)N=C2c2c(C)ccc(C)c2)cc1

InChI

InChI=1S/C27H34N4O3/c1-4-34-22-9-7-20(8-10-22)25-16-24(23-15-18(2)5-6-19(23)3)29-31(25)26(32)17-30-13-11-21(12-14-30)27(28)33/h5-10,15,21,25H,4,11-14,16-17H2,1-3H3,(H2,28,33)/t25-/m0/s1

InChI Key

JGRROEJAPKXCFG-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19886107

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-3.57

Polar Surface Area

71.774

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

8.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V022-5361 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V022-5361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5361?
Check Price and Availability of V022-5361, 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 V022-5361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5361
  • 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 V022-5361 available by request