V022-8454 Screening compound: 1-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-4-carboxamide

V022-8454 Screening compound: 1-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-4-carboxamide
V022-8454 Screening compound: 1-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-8454
1-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-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

V022-8454

Molecular Formula

C25H28N4O5 (C25 H28 N4 O5)

Compound Name

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

IUPAC name

1-{2-[5-(2H-13-benzodioxol-5-yl)-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-4-carboxamide

SMILES

COc(cc1)ccc1C(CC1c(cc2)cc3c2OCO3)=NN1C(CN(CC1)CCC1C(N)=O)=O

InChI

InChI=1S/C25H28N4O5/c1-32-19-5-2-16(3-6-19)20-13-21(18-4-7-22-23(12-18)34-15-33-22)29(27-20)24(30)14-28-10-8-17(9-11-28)25(26)31/h2-7,12,17,21H,8-11,13-15H2,1H3,(H2,26,31)/t21-/m0/s1

InChI Key

DSHCZWPSOZJJCA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19886032

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

1.695

Water Solubility, LogSw

-2.93

Polar Surface Area

89.309

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

8.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V022-8454 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V022-8454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-8454?
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What is the minimum amount of V022-8454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-8454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-8454
  • 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 V022-8454 available by request