S582-0543 Screening compound: 3-({2-benzyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)-1-cyclopentylurea

S582-0543 Screening compound: 3-({2-benzyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)-1-cyclopentylurea
S582-0543 Screening compound: 3-({2-benzyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)-1-cyclopentylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S582-0543
3-({2-benzyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)-1-cyclopentylurea

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

S582-0543

Molecular Formula

C21H26N4O2 (C21 H26 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCC(Cn1c2ccc1)N(Cc1ccccc1)C2=O)NC1CCCC1

InChI

InChI=1S/C21H26N4O2/c26-20-19-11-6-12-24(19)15-18(25(20)14-16-7-2-1-3-8-16)13-22-21(27)23-17-9-4-5-10-17/h1-3,6-8,11-12,17-18H,4-5,9-10,13-15H2,(H2,22,23,27)/t18-/m0/s1

InChI Key

GNWAMVNMLZKGPD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29011282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.764

Distribution Coefficient, logD

2.764

Water Solubility, LogSw

-3.04

Polar Surface Area

53.523

Acid Dissociation Constant (pKa)

16.45

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

S582-0543 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • 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 S582-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S582-0543?
Check Price and Availability of S582-0543, 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 S582-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S582-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S582-0543
  • 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 S582-0543 available by request