S571-0327 Screening compound: 6-methoxy-N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)pyridine-3-carboxamide

S571-0327 Screening compound: 6-methoxy-N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)pyridine-3-carboxamide
S571-0327 Screening compound: 6-methoxy-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 S571-0327
6-methoxy-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

S571-0327

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(C1=CCCC1(CNC(c(cc1)cnc1OC)=O)CC1)C1=O

InChI

InChI=1S/C17H21N3O3/c1-20-13-4-3-8-17(13,9-7-15(20)21)11-19-16(22)12-5-6-14(23-2)18-10-12/h4-6,10H,3,7-9,11H2,1-2H3,(H,19,22)/t17-/m0/s1

InChI Key

OJJCKPGWEXZOCJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29014897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.650

Distribution Coefficient, logD

1.650

Water Solubility, LogSw

-1.95

Polar Surface Area

57.028

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

S571-0327 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
  • Ion Channels
  • Kinases
  • Ion Channels
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S571-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0327?
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What is the minimum amount of S571-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0327
  • 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 S571-0327 available by request