S582-0380 Screening compound: N-{[2-(2-methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]methyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide

S582-0380 Screening compound: N-{[2-(2-methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]methyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide
S582-0380 Screening compound: N-{[2-(2-methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]methyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S582-0380
N-{[2-(2-methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]methyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide

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

S582-0380

Molecular Formula

C16H22N4O5S (C16 H22 N4 O5 S)

Compound Name

N-{[2-(2-methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl]methyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide

IUPAC name

n/a

SMILES

Cc1noc(C)c1S(NCC(Cn1c2ccc1)N(CCOC)C2=O)(=O)=O

InChI

InChI=1S/C16H22N4O5S/c1-11-15(12(2)25-18-11)26(22,23)17-9-13-10-19-6-4-5-14(19)16(21)20(13)7-8-24-3/h4-6,13,17H,7-10H2,1-3H3/t13-/m0/s1

InChI Key

IDZUQJRHGWIULW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29012623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.315

Distribution Coefficient, logD

0.305

Water Solubility, LogSw

-2.32

Polar Surface Area

90.873

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S582-0380 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S582-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S582-0380?
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What is the minimum amount of S582-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S582-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S582-0380
  • 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 S582-0380 available by request