V016-9956 Screening compound: 1-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}-4-(2-methoxyphenyl)piperidine

V016-9956 Screening compound: 1-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}-4-(2-methoxyphenyl)piperidine
V016-9956 Screening compound: 1-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}-4-(2-methoxyphenyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9956
1-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}-4-(2-methoxyphenyl)piperidine

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

V016-9956

Molecular Formula

C22H23ClN2OS (C22 H23 ClN2 OS)

Compound Name

1-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}-4-(2-methoxyphenyl)piperidine

IUPAC name

1-{[2-(4-chlorophenyl)-13-thiazol-4-yl]methyl}-4-(2-methoxyphenyl)piperidine

SMILES

COc1c(C2CCN(Cc3csc(-c(cc4)ccc4Cl)n3)CC2)cccc1

InChI

InChI=1S/C22H23ClN2OS/c1-26-21-5-3-2-4-20(21)16-10-12-25(13-11-16)14-19-15-27-22(24-19)17-6-8-18(23)9-7-17/h2-9,15-16H,10-14H2,1H3

InChI Key

VFQDRVSOAMGDGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19944919

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

398.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.011

Distribution Coefficient, logD

5.958

Water Solubility, LogSw

-6.34

Polar Surface Area

21.559

Acid Dissociation Constant (pKa)

25.10

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V016-9956 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V016-9956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9956?
Check Price and Availability of V016-9956, 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 V016-9956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9956
  • 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 V016-9956 available by request