T802-0535 Screening compound: [2-(2-morpholinoethyl)piperidino](2-quinolyl)methanone

T802-0535 Screening compound: [2-(2-morpholinoethyl)piperidino](2-quinolyl)methanone
T802-0535 Screening compound: [2-(2-morpholinoethyl)piperidino](2-quinolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T802-0535
[2-(2-morpholinoethyl)piperidino](2-quinolyl)methanone

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

T802-0535

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

[2-(2-morpholinoethyl)piperidino](2-quinolyl)methanone

IUPAC name

2-{2-[2-(morpholin-4-yl)ethyl]piperidine-1-carbonyl}quinoline

SMILES

O=C(c1nc2ccccc2cc1)N1C(CCN2CCOCC2)CCCC1

InChI

InChI=1S/C21H27N3O2/c25-21(20-9-8-17-5-1-2-7-19(17)22-20)24-11-4-3-6-18(24)10-12-23-13-15-26-16-14-23/h1-2,5,7-9,18H,3-4,6,10-16H2/t18-/m1/s1

InChI Key

JDHMEWCVWHJEBS-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27623508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.774

Distribution Coefficient, logD

2.687

Water Solubility, LogSw

-3.03

Polar Surface Area

36.483

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

T802-0535 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T802-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T802-0535?
Check Price and Availability of T802-0535, 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 T802-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T802-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T802-0535
  • 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 T802-0535 available by request