S988-0480 Screening compound: 5-{2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(ethanesulfonyl)-octahydropyrrolo[3,4-c]pyrrol-3a-yl}-3-methyl-1,2,4-oxadiazole

S988-0480 Screening compound: 5-{2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(ethanesulfonyl)-octahydropyrrolo[3,4-c]pyrrol-3a-yl}-3-methyl-1,2,4-oxadiazole
S988-0480 Screening compound: 5-{2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(ethanesulfonyl)-octahydropyrrolo[3,4-c]pyrrol-3a-yl}-3-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S988-0480
5-{2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(ethanesulfonyl)-octahydropyrrolo[3,4-c]pyrrol-3a-yl}-3-methyl-1,2,4-oxadiazole

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

S988-0480

Molecular Formula

C17H25N5O4S (C17 H25 N5 O4 S)

Compound Name

5-{2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(ethanesulfonyl)-octahydropyrrolo[3,4-c]pyrrol-3a-yl}-3-methyl-1,2,4-oxadiazole

IUPAC name

5-[(3aS6aS)-2-[(35-dimethyl-12-oxazol-4-yl)methyl]-5-(ethanesulfonyl)-octahydropyrrolo[34-c]pyrrol-3a-yl]-3-methyl-124-oxadiazole

SMILES

CCS(N(C[C@@H]1CN(Cc2c(C)onc2C)C2)C[C@@]12c1nc(C)no1)(=O)=O

InChI

InChI=1S/C17H25N5O4S/c1-5-27(23,24)22-7-14-6-21(8-15-11(2)19-25-12(15)3)9-17(14,10-22)16-18-13(4)20-26-16/h14H,5-10H2,1-4H3/t14-,17+/m1/s1

InChI Key

MPNMTKGXWNPXIZ-PBHICJAKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.735

Distribution Coefficient, logD

-3.787

Water Solubility, LogSw

-1.36

Polar Surface Area

89.370

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

11.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.59

S988-0480 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S988-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S988-0480?
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What is the minimum amount of S988-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S988-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S988-0480
  • 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 S988-0480 available by request