S571-0198 Screening compound: N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)-5-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carboxamide

S571-0198 Screening compound: N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)-5-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carboxamide
S571-0198 Screening compound: N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)-5-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0198
N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)-5-[(morpholin-4-yl)methyl]-1,2-oxazole-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

S571-0198

Molecular Formula

C19H26N4O4 (C19 H26 N4 O4)

Compound Name

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

IUPAC name

N-({1-methyl-2-oxo-1H2H3H4H4aH5H6H-cyclopenta[b]pyridin-4a-yl}methyl)-5-[(morpholin-4-yl)methyl]-12-oxazole-3-carboxamide

SMILES

CN(C1=CCCC1(CNC(c1noc(CN2CCOCC2)c1)=O)CC1)C1=O

InChI

InChI=1S/C19H26N4O4/c1-22-16-3-2-5-19(16,6-4-17(22)24)13-20-18(25)15-11-14(27-21-15)12-23-7-9-26-10-8-23/h3,11H,2,4-10,12-13H2,1H3,(H,20,25)/t19-/m0/s1

InChI Key

IIWHQEJVIJQGDF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31981895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.854

Distribution Coefficient, logD

0.844

Water Solubility, LogSw

-1.69

Polar Surface Area

73.065

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S571-0198 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S571-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0198?
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What is the minimum amount of S571-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0198
  • 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 S571-0198 available by request