S571-0456 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}cyclobutanecarboxamide

S571-0456 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}cyclobutanecarboxamide
S571-0456 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0456
N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}cyclobutanecarboxamide

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

S571-0456

Molecular Formula

C18H26N2O2 (C18 H26 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCC1)NCC1(CCC(N2CC3CC3)=O)C2=CCC1

InChI

InChI=1S/C18H26N2O2/c21-16-8-10-18(12-19-17(22)14-3-1-4-14)9-2-5-15(18)20(16)11-13-6-7-13/h5,13-14H,1-4,6-12H2,(H,19,22)/t18-/m0/s1

InChI Key

VQGMHFSPGKPXAH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31987100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.090

Distribution Coefficient, logD

2.090

Water Solubility, LogSw

-2.25

Polar Surface Area

41.455

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

S571-0456 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 S571-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0456?
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What is the minimum amount of S571-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0456
  • 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 S571-0456 available by request