S571-0187 Screening compound: 1,3-dimethyl-N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)-1H-pyrazole-5-carboxamide

S571-0187 Screening compound: 1,3-dimethyl-N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)-1H-pyrazole-5-carboxamide
S571-0187 Screening compound: 1,3-dimethyl-N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0187
1,3-dimethyl-N-({1-methyl-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl}methyl)-1H-pyrazole-5-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

S571-0187

Molecular Formula

C16H22N4O2 (C16 H22 N4 O2)

Compound Name

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

IUPAC name

13-dimethyl-N-({1-methyl-2-oxo-1H2H3H4H4aH5H6H-cyclopenta[b]pyridin-4a-yl}methyl)-1H-pyrazole-5-carboxamide

SMILES

Cc1nn(C)c(C(NCC2(CCC(N3C)=O)C3=CCC2)=O)c1

InChI

InChI=1S/C16H22N4O2/c1-11-9-12(20(3)18-11)15(22)17-10-16-7-4-5-13(16)19(2)14(21)6-8-16/h5,9H,4,6-8,10H2,1-3H3,(H,17,22)/t16-/m0/s1

InChI Key

ANLGHYFJYSEWKZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31990586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.638

Distribution Coefficient, logD

0.638

Water Solubility, LogSw

-1.52

Polar Surface Area

53.769

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

S571-0187 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 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
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S571-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0187?
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What is the minimum amount of S571-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0187
  • 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 S571-0187 available by request