T855-0452 Screening compound: 1-cyclopentyl-2-oxo-N-[2-(piperidin-1-yl)ethyl]-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridine-4a-carboxamide

T855-0452 Screening compound: 1-cyclopentyl-2-oxo-N-[2-(piperidin-1-yl)ethyl]-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridine-4a-carboxamide
T855-0452 Screening compound: 1-cyclopentyl-2-oxo-N-[2-(piperidin-1-yl)ethyl]-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridine-4a-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T855-0452
1-cyclopentyl-2-oxo-N-[2-(piperidin-1-yl)ethyl]-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridine-4a-carboxamide

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

T855-0452

Molecular Formula

C21H33N3O2 (C21 H33 N3 O2)

Compound Name

1-cyclopentyl-2-oxo-N-[2-(piperidin-1-yl)ethyl]-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridine-4a-carboxamide

IUPAC name

1-cyclopentyl-2-oxo-N-[2-(piperidin-1-yl)ethyl]-1H2H3H4H4aH5H6H-cyclopenta[b]pyridine-4a-carboxamide

SMILES

O=C(C1(CCC(N2C3CCCC3)=O)C2=CCC1)NCCN1CCCCC1

InChI

InChI=1S/C21H33N3O2/c25-19-10-12-21(20(26)22-13-16-23-14-4-1-5-15-23)11-6-9-18(21)24(19)17-7-2-3-8-17/h9,17H,1-8,10-16H2,(H,22,26)/t21-/m1/s1

InChI Key

PYFFNBKJKFVBRW-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD31983415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.235

Distribution Coefficient, logD

0.273

Water Solubility, LogSw

-2.45

Polar Surface Area

43.821

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

9.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.95

T855-0452 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T855-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T855-0452?
Check Price and Availability of T855-0452, 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 T855-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T855-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T855-0452
  • 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 T855-0452 available by request