S984-1379 Screening compound: 1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl}-2-methylpropan-1-one

S984-1379 Screening compound: 1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl}-2-methylpropan-1-one
S984-1379 Screening compound: 1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl}-2-methylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-1379
1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl}-2-methylpropan-1-one

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

S984-1379

Molecular Formula

C20H30N4O5S (C20 H30 N4 O5 S)

Compound Name

1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl}-2-methylpropan-1-one

IUPAC name

1-[(3aS6aS)-5-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[34-c]pyrrol-2-yl]-2-methylpropan-1-one

SMILES

CC(C)C(N(C[C@H]1CN(C2)S(c3c(C)onc3C)(=O)=O)C[C@]12C(N1CCCC1)=O)=O

InChI

InChI=1S/C20H30N4O5S/c1-13(2)18(25)23-9-16-10-24(30(27,28)17-14(3)21-29-15(17)4)12-20(16,11-23)19(26)22-7-5-6-8-22/h13,16H,5-12H2,1-4H3/t16-,20+/m1/s1

InChI Key

DPPULXXQKANOFX-UZLBHIALSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.844

Distribution Coefficient, logD

0.844

Water Solubility, LogSw

-1.39

Polar Surface Area

88.116

Acid Dissociation Constant (pKa)

22.65

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.00

S984-1379 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
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 S984-1379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-1379?
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What is the minimum amount of S984-1379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-1379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-1379
  • 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 S984-1379 available by request