V009-3124 Screening compound: 2-(4-benzylpiperidin-1-yl)-1-[3-(2-chlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

V009-3124 Screening compound: 2-(4-benzylpiperidin-1-yl)-1-[3-(2-chlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
V009-3124 Screening compound: 2-(4-benzylpiperidin-1-yl)-1-[3-(2-chlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3124
2-(4-benzylpiperidin-1-yl)-1-[3-(2-chlorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-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

V009-3124

Molecular Formula

C28H31ClN4O (C28 H31 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(C(C2)N(C(CN3CCC(Cc4ccccc4)CC3)=O)N=C2c(cccc2)c2Cl)ccc1

InChI

InChI=1S/C28H31ClN4O/c1-31-15-7-12-26(31)27-19-25(23-10-5-6-11-24(23)29)30-33(27)28(34)20-32-16-13-22(14-17-32)18-21-8-3-2-4-9-21/h2-12,15,22,27H,13-14,16-20H2,1H3/t27-/m1/s1

InChI Key

VBHPWYOBACSAPF-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19885815

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.03

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.011

Distribution Coefficient, logD

5.916

Water Solubility, LogSw

-5.89

Polar Surface Area

32.737

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

V009-3124 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V009-3124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3124?
Check Price and Availability of V009-3124, 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 V009-3124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3124
  • 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 V009-3124 available by request