S571-0480 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-5-methylpyrazine-2-carboxamide

S571-0480 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-5-methylpyrazine-2-carboxamide
S571-0480 Screening compound: N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-5-methylpyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S571-0480
N-{[1-(cyclopropylmethyl)-2-oxo-1H,2H,3H,4H,4aH,5H,6H-cyclopenta[b]pyridin-4a-yl]methyl}-5-methylpyrazine-2-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

S571-0480

Molecular Formula

C19H24N4O2 (C19 H24 N4 O2)

Compound Name

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

IUPAC name

N-{[1-(cyclopropylmethyl)-2-oxo-1H2H3H4H4aH5H6H-cyclopenta[b]pyridin-4a-yl]methyl}-5-methylpyrazine-2-carboxamide

SMILES

Cc(nc1)cnc1C(NCC1(CCC(N2CC3CC3)=O)C2=CCC1)=O

InChI

InChI=1S/C19H24N4O2/c1-13-9-21-15(10-20-13)18(25)22-12-19-7-2-3-16(19)23(11-14-4-5-14)17(24)6-8-19/h3,9-10,14H,2,4-8,11-12H2,1H3,(H,22,25)/t19-/m0/s1

InChI Key

APRKGLQZXRQTNZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31980142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.238

Distribution Coefficient, logD

2.238

Water Solubility, LogSw

-2.28

Polar Surface Area

59.014

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

S571-0480 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CNS Targets (44014 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)

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
  • 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 S571-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S571-0480?
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What is the minimum amount of S571-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S571-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S571-0480
  • 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 S571-0480 available by request