S571-0188 Screening compound: N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)pyridine-3-carboxamide

S571-0188 Screening compound: N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)pyridine-3-carboxamide
S571-0188 Screening compound: N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0188
N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)pyridine-3-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

S571-0188

Molecular Formula

C16H19N3O2 (C16 H19 N3 O2)

Compound Name

N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)pyridine-3-carboxamide

IUPAC name

N-({1-methyl-2-oxo-1H2H3H4H4aH5H6H-cyclopenta[b]pyridin-4a-yl}methyl)pyridine-3-carboxamide

SMILES

CN(C1=CCCC1(CNC(c1cnccc1)=O)CC1)C1=O

InChI

InChI=1S/C16H19N3O2/c1-19-13-5-2-7-16(13,8-6-14(19)20)11-18-15(21)12-4-3-9-17-10-12/h3-5,9-10H,2,6-8,11H2,1H3,(H,18,21)/t16-/m0/s1

InChI Key

QNWWABUCRNNWBY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30462887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.894

Distribution Coefficient, logD

0.894

Water Solubility, LogSw

-0.99

Polar Surface Area

49.964

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

S571-0188 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S571-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0188?
Check Price and Availability of S571-0188, 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 S571-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0188
  • 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 S571-0188 available by request