V021-9805 Screening compound: 2-(4-benzylpiperidin-1-yl)-1-[5-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

V021-9805 Screening compound: 2-(4-benzylpiperidin-1-yl)-1-[5-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
V021-9805 Screening compound: 2-(4-benzylpiperidin-1-yl)-1-[5-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-9805
2-(4-benzylpiperidin-1-yl)-1-[5-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-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

V021-9805

Molecular Formula

C31H34ClN3O3 (C31 H34 ClN3 O3)

Compound Name

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

IUPAC name

2-(4-benzylpiperidin-1-yl)-1-[5-(2-chlorophenyl)-3-(24-dimethoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]ethan-1-one

SMILES

COc(cc1)cc(OC)c1C(CC1c(cccc2)c2Cl)=NN1C(CN1CCC(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C31H34ClN3O3/c1-37-24-12-13-26(30(19-24)38-2)28-20-29(25-10-6-7-11-27(25)32)35(33-28)31(36)21-34-16-14-23(15-17-34)18-22-8-4-3-5-9-22/h3-13,19,23,29H,14-18,20-21H2,1-2H3/t29-/m0/s1

InChI Key

WLJBSDBIAVQXDF-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19885405

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

532.08

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.609

Distribution Coefficient, logD

6.532

Water Solubility, LogSw

-6.17

Polar Surface Area

45.494

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

V021-9805 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 V021-9805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-9805?
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What is the minimum amount of V021-9805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-9805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9805
  • 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 V021-9805 available by request