S988-1286 Screening compound: 1-[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-tetrahydro-2H-pyran-4-ylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenoxy)-1-ethanone

S988-1286 Screening compound: 1-[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-tetrahydro-2H-pyran-4-ylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenoxy)-1-ethanone
S988-1286 Screening compound: 1-[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-tetrahydro-2H-pyran-4-ylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenoxy)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S988-1286
1-[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-tetrahydro-2H-pyran-4-ylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenoxy)-1-ethanone

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

S988-1286

Molecular Formula

C23H30N4O4 (C23 H30 N4 O4)

Compound Name

1-[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-tetrahydro-2H-pyran-4-ylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenoxy)-1-ethanone

IUPAC name

1-[(3aR6aR)-3a-(3-methyl-124-oxadiazol-5-yl)-5-(oxan-4-yl)-octahydropyrrolo[34-c]pyrrol-2-yl]-2-(3-methylphenoxy)ethan-1-one

SMILES

Cc1noc([C@@](CN(C2)C3CCOCC3)(C3)[C@@H]2CN3C(COc2cc(C)ccc2)=O)n1

InChI

InChI=1S/C23H30N4O4/c1-16-4-3-5-20(10-16)30-13-21(28)27-12-18-11-26(19-6-8-29-9-7-19)14-23(18,15-27)22-24-17(2)25-31-22/h3-5,10,18-19H,6-9,11-15H2,1-2H3/t18-,23+/m1/s1

InChI Key

AQIBPJLWDCUWMK-JPYJTQIMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

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

1.802

Distribution Coefficient, logD

-4.012

Water Solubility, LogSw

-2.18

Polar Surface Area

66.537

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

13.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.87

S988-1286 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S988-1286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S988-1286?
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What is the minimum amount of S988-1286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S988-1286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S988-1286
  • 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 S988-1286 available by request