S582-0376 Screening compound: 1-[(4-fluorophenyl)methyl]-3-{[2-(2-methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]methyl}urea

S582-0376 Screening compound: 1-[(4-fluorophenyl)methyl]-3-{[2-(2-methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]methyl}urea
S582-0376 Screening compound: 1-[(4-fluorophenyl)methyl]-3-{[2-(2-methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S582-0376
1-[(4-fluorophenyl)methyl]-3-{[2-(2-methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]methyl}urea

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

S582-0376

Molecular Formula

C19H23FN4O3 (C19 H23 FN4 O3)

Compound Name

1-[(4-fluorophenyl)methyl]-3-{[2-(2-methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]methyl}urea

IUPAC name

1-[(4-fluorophenyl)methyl]-3-{[2-(2-methoxyethyl)-1-oxo-1H2H3H4H-pyrrolo[12-a]pyrazin-3-yl]methyl}urea

SMILES

COCCN(C(CNC(NCc(cc1)ccc1F)=O)Cn1c2ccc1)C2=O

InChI

InChI=1S/C19H23FN4O3/c1-27-10-9-24-16(13-23-8-2-3-17(23)18(24)25)12-22-19(26)21-11-14-4-6-15(20)7-5-14/h2-8,16H,9-13H2,1H3,(H2,21,22,26)/t16-/m0/s1

InChI Key

PUUVYWFOQPWTHB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29011349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.230

Distribution Coefficient, logD

1.230

Water Solubility, LogSw

-1.87

Polar Surface Area

62.024

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

S582-0376 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S582-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S582-0376?
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What is the minimum amount of S582-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S582-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S582-0376
  • 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 S582-0376 available by request