S582-0598 Screening compound: N-({2-benzyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)cyclopentanecarboxamide

S582-0598 Screening compound: N-({2-benzyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)cyclopentanecarboxamide
S582-0598 Screening compound: N-({2-benzyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S582-0598
N-({2-benzyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)cyclopentanecarboxamide

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

S582-0598

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

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

IUPAC name

N-({2-benzyl-1-oxo-1H2H3H4H-pyrrolo[12-a]pyrazin-3-yl}methyl)cyclopentanecarboxamide

SMILES

O=C(C1CCCC1)NCC(Cn1c2ccc1)N(Cc1ccccc1)C2=O

InChI

InChI=1S/C21H25N3O2/c25-20(17-9-4-5-10-17)22-13-18-15-23-12-6-11-19(23)21(26)24(18)14-16-7-2-1-3-8-16/h1-3,6-8,11-12,17-18H,4-5,9-10,13-15H2,(H,22,25)/t18-/m0/s1

InChI Key

JSRURIJULFHZCU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29011374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-3.05

Polar Surface Area

43.456

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

S582-0598 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S582-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S582-0598?
Check Price and Availability of S582-0598, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S582-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S582-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S582-0598
  • 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 S582-0598 available by request