S582-0717 Screening compound: 2-(3-methoxyphenyl)-N-({1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)acetamide

S582-0717 Screening compound: 2-(3-methoxyphenyl)-N-({1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)acetamide
S582-0717 Screening compound: 2-(3-methoxyphenyl)-N-({1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S582-0717
2-(3-methoxyphenyl)-N-({1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-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

S582-0717

Molecular Formula

C23H24N4O3 (C23 H24 N4 O3)

Compound Name

2-(3-methoxyphenyl)-N-({1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)acetamide

IUPAC name

2-(3-methoxyphenyl)-N-({1-oxo-2-[(pyridin-3-yl)methyl]-1H2H3H4H-pyrrolo[12-a]pyrazin-3-yl}methyl)acetamide

SMILES

COc1cccc(CC(NCC(Cn2c3ccc2)N(Cc2cnccc2)C3=O)=O)c1

InChI

InChI=1S/C23H24N4O3/c1-30-20-7-2-5-17(11-20)12-22(28)25-14-19-16-26-10-4-8-21(26)23(29)27(19)15-18-6-3-9-24-13-18/h2-11,13,19H,12,14-16H2,1H3,(H,25,28)/t19-/m0/s1

InChI Key

FHSBILGGUBKIPZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31974104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.463

Distribution Coefficient, logD

1.463

Water Solubility, LogSw

-1.57

Polar Surface Area

59.746

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.09

S582-0717 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S582-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S582-0717?
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What is the minimum amount of S582-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S582-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S582-0717
  • 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 S582-0717 available by request