Y031-5067 Screening compound: 1-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]-1,2,3,4-tetrahydroquinoline

Y031-5067 Screening compound: 1-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]-1,2,3,4-tetrahydroquinoline
Y031-5067 Screening compound: 1-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5067
1-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]-1,2,3,4-tetrahydroquinoline

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

Y031-5067

Molecular Formula

C22H23ClN2O2 (C22 H23 ClN2 O2)

Compound Name

1-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]-1,2,3,4-tetrahydroquinoline

IUPAC name

1-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]-1234-tetrahydroquinoline

SMILES

O=C(C(CC1)CCN1C(c(cc1)ccc1Cl)=O)N(CCC1)c2c1cccc2

InChI

InChI=1S/C22H23ClN2O2/c23-19-9-7-17(8-10-19)21(26)24-14-11-18(12-15-24)22(27)25-13-3-5-16-4-1-2-6-20(16)25/h1-2,4,6-10,18H,3,5,11-15H2

InChI Key

UAVWCNQRUINCKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08129431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.766

Distribution Coefficient, logD

3.766

Water Solubility, LogSw

-4.43

Polar Surface Area

32.200

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

Y031-5067 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-5067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5067?
Check Price and Availability of Y031-5067, 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 Y031-5067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5067
  • 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 Y031-5067 available by request