S582-0401 Screening compound: N-{[2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl]methyl}-N'-(4-methylbenzyl)urea

S582-0401 Screening compound: N-{[2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl]methyl}-N'-(4-methylbenzyl)urea
S582-0401 Screening compound: N-{[2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl]methyl}-N'-(4-methylbenzyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S582-0401
N-{[2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl]methyl}-N'-(4-methylbenzyl)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

S582-0401

Molecular Formula

C20H26N4O3 (C20 H26 N4 O3)

Compound Name

N-{[2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl]methyl}-N'-(4-methylbenzyl)urea

IUPAC name

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

SMILES

Cc1ccc(CNC(NCC(Cn2c3ccc2)N(CCOC)C3=O)=O)cc1

InChI

InChI=1S/C20H26N4O3/c1-15-5-7-16(8-6-15)12-21-20(26)22-13-17-14-23-9-3-4-18(23)19(25)24(17)10-11-27-2/h3-9,17H,10-14H2,1-2H3,(H2,21,22,26)/t17-/m0/s1

InChI Key

GUDOTDUYTWLMTQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29011229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

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

1.624

Distribution Coefficient, logD

1.624

Water Solubility, LogSw

-1.95

Polar Surface Area

62.024

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S582-0401 in Drug Discovery

Included in Screening Libraries

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 S582-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S582-0401?
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What is the minimum amount of S582-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S582-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S582-0401
  • 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 S582-0401 available by request