V016-9158 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(piperidin-1-yl)ethan-1-one

V016-9158 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(piperidin-1-yl)ethan-1-one
V016-9158 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9158
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(piperidin-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

V016-9158

Molecular Formula

C23H24ClN3O3 (C23 H24 ClN3 O3)

Compound Name

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

IUPAC name

1-[5-(2H-13-benzodioxol-5-yl)-3-(2-chlorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-(piperidin-1-yl)ethan-1-one

SMILES

O=C(CN1CCCCC1)N(C(C1)c(cc2)cc3c2OCO3)N=C1c(cccc1)c1Cl

InChI

InChI=1S/C23H24ClN3O3/c24-18-7-3-2-6-17(18)19-13-20(16-8-9-21-22(12-16)30-15-29-21)27(25-19)23(28)14-26-10-4-1-5-11-26/h2-3,6-9,12,20H,1,4-5,10-11,13-15H2/t20-/m1/s1

InChI Key

UAHWEEMXDBHQLM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19885747

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

425.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.376

Distribution Coefficient, logD

4.144

Water Solubility, LogSw

-4.50

Polar Surface Area

47.707

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with V016-9158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9158?
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What is the minimum amount of V016-9158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9158
  • 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 V016-9158 available by request