S988-1190 Screening compound: [(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-methoxy-2-methylphenyl)methanone

S988-1190 Screening compound: [(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-methoxy-2-methylphenyl)methanone
S988-1190 Screening compound: [(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-methoxy-2-methylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S988-1190
[(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-methoxy-2-methylphenyl)methanone

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

S988-1190

Molecular Formula

C25H26N4O4 (C25 H26 N4 O4)

Compound Name

[(3aR,6aR)-5-benzoyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-methoxy-2-methylphenyl)methanone

IUPAC name

5-[(3aR6aR)-2-benzoyl-5-(3-methoxy-2-methylbenzoyl)-octahydropyrrolo[34-c]pyrrol-3a-yl]-3-methyl-124-oxadiazole

SMILES

Cc1noc([C@@](CN(C2)C(c3ccccc3)=O)(C3)[C@@H]2CN3C(c2c(C)c(OC)ccc2)=O)n1

InChI

InChI=1S/C25H26N4O4/c1-16-20(10-7-11-21(16)32-3)23(31)29-13-19-12-28(22(30)18-8-5-4-6-9-18)14-25(19,15-29)24-26-17(2)27-33-24/h4-11,19H,12-15H2,1-3H3/t19-,25+/m1/s1

InChI Key

WYJKSERVJZDDMJ-CLOONOSVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.572

Distribution Coefficient, logD

2.572

Water Solubility, LogSw

-2.93

Polar Surface Area

72.650

Acid Dissociation Constant (pKa)

25.69

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

S988-1190 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S988-1190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S988-1190?
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What is the minimum amount of S988-1190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S988-1190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S988-1190
  • 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 S988-1190 available by request