S571-0435 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-6-methylpyridine-3-carboxamide

S571-0435 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-6-methylpyridine-3-carboxamide
S571-0435 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-6-methylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0435
N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-6-methylpyridine-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

S571-0435

Molecular Formula

C20H25N3O2 (C20 H25 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ncc1C(NCC1(CCC(N2CC3CC3)=O)C2=CCC1)=O

InChI

InChI=1S/C20H25N3O2/c1-14-4-7-16(11-21-14)19(25)22-13-20-9-2-3-17(20)23(12-15-5-6-15)18(24)8-10-20/h3-4,7,11,15H,2,5-6,8-10,12-13H2,1H3,(H,22,25)/t20-/m0/s1

InChI Key

BWMFYBHORXARBY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31991744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

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

2.882

Distribution Coefficient, logD

2.882

Water Solubility, LogSw

-3.13

Polar Surface Area

49.876

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S571-0435 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S571-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0435?
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What is the minimum amount of S571-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0435
  • 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 S571-0435 available by request