S571-0040 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-N~1~-[(2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]acetamide

S571-0040 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-N~1~-[(2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]acetamide
S571-0040 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-N~1~-[(2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0040
2-(3,5-dimethyl-4-isoxazolyl)-N~1~-[(2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]acetamide

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

S571-0040

Molecular Formula

C16H21N3O3 (C16 H21 N3 O3)

Compound Name

2-(3,5-dimethyl-4-isoxazolyl)-N~1~-[(2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]acetamide

IUPAC name

n/a

SMILES

Cc1noc(C)c1CC(NCC1(CCC(N2)=O)C2=CCC1)=O

InChI

InChI=1S/C16H21N3O3/c1-10-12(11(2)22-19-10)8-15(21)17-9-16-6-3-4-13(16)18-14(20)5-7-16/h4H,3,5-9H2,1-2H3,(H,17,21)(H,18,20)/t16-/m0/s1

InChI Key

BRBQZMRCBDPNGQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29014879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.106

Distribution Coefficient, logD

1.106

Water Solubility, LogSw

-1.84

Polar Surface Area

71.997

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

S571-0040 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S571-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of S571-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0040
  • 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 S571-0040 available by request