V022-8587 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one

V022-8587 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one
V022-8587 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-8587
1-[5-(2H-1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one

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

V022-8587

Molecular Formula

C30H31N3O3 (C30 H31 N3 O3)

Compound Name

1-[5-(2H-1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one

IUPAC name

1-[5-(2H-13-benzodioxol-5-yl)-3-phenyl-45-dihydro-1H-pyrazol-1-yl]-2-(4-benzylpiperidin-1-yl)ethan-1-one

SMILES

O=C(CN1CCC(Cc2ccccc2)CC1)N(C(C1)c(cc2)cc3c2OCO3)N=C1c1ccccc1

InChI

InChI=1S/C30H31N3O3/c34-30(20-32-15-13-23(14-16-32)17-22-7-3-1-4-8-22)33-27(19-26(31-33)24-9-5-2-6-10-24)25-11-12-28-29(18-25)36-21-35-28/h1-12,18,23,27H,13-17,19-21H2/t27-/m0/s1

InChI Key

RUECOLNZTVKUPB-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19886681

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

481.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.912

Distribution Coefficient, logD

5.836

Water Solubility, LogSw

-6.09

Polar Surface Area

47.435

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V022-8587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-8587?
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What is the minimum amount of V022-8587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-8587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-8587
  • 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 V022-8587 available by request