T802-0181 Screening compound: 4-{2-[2-(pyrrolidin-1-yl)ethyl]piperidine-1-carbonyl}pyridine

T802-0181 Screening compound: 4-{2-[2-(pyrrolidin-1-yl)ethyl]piperidine-1-carbonyl}pyridine
T802-0181 Screening compound: 4-{2-[2-(pyrrolidin-1-yl)ethyl]piperidine-1-carbonyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound T802-0181
4-{2-[2-(pyrrolidin-1-yl)ethyl]piperidine-1-carbonyl}pyridine

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

T802-0181

Molecular Formula

C17H25N3O (C17 H25 N3 O)

Compound Name

4-{2-[2-(pyrrolidin-1-yl)ethyl]piperidine-1-carbonyl}pyridine

IUPAC name

4-{2-[2-(pyrrolidin-1-yl)ethyl]piperidine-1-carbonyl}pyridine

SMILES

O=C(c1ccncc1)N1C(CCN2CCCC2)CCCC1

InChI

InChI=1S/C17H25N3O/c21-17(15-6-9-18-10-7-15)20-13-2-1-5-16(20)8-14-19-11-3-4-12-19/h6-7,9-10,16H,1-5,8,11-14H2/t16-/m1/s1

InChI Key

SKCDSKOLPQMQAA-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27623449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.754

Distribution Coefficient, logD

-0.465

Water Solubility, LogSw

-1.42

Polar Surface Area

30.038

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.70

T802-0181 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T802-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T802-0181?
Check Price and Availability of T802-0181, 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 T802-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T802-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T802-0181
  • 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 T802-0181 available by request