S988-1021 Screening compound: (3aR,6aR)-5-(ethylsulfonyl)-N,N-dimethyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-sulfonamide

S988-1021 Screening compound: (3aR,6aR)-5-(ethylsulfonyl)-N,N-dimethyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-sulfonamide
S988-1021 Screening compound: (3aR,6aR)-5-(ethylsulfonyl)-N,N-dimethyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S988-1021
(3aR,6aR)-5-(ethylsulfonyl)-N,N-dimethyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-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

S988-1021

Molecular Formula

C13H23N5O5S2 (C13 H23 N5 O5 S2)

Compound Name

(3aR,6aR)-5-(ethylsulfonyl)-N,N-dimethyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-sulfonamide

IUPAC name

(3aR6aR)-5-(ethanesulfonyl)-NN-dimethyl-3a-(3-methyl-124-oxadiazol-5-yl)-octahydropyrrolo[34-c]pyrrole-2-sulfonamide

SMILES

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

InChI

InChI=1S/C13H23N5O5S2/c1-5-24(19,20)17-6-11-7-18(25(21,22)16(3)4)9-13(11,8-17)12-14-10(2)15-23-12/h11H,5-9H2,1-4H3/t11-,13+/m1/s1

InChI Key

LJBAZIWJNQXLOX-YPMHNXCESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.449

Distribution Coefficient, logD

-0.449

Water Solubility, LogSw

-1.04

Polar Surface Area

99.669

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

84.61

S988-1021 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)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 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 S988-1021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S988-1021?
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What is the minimum amount of S988-1021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S988-1021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S988-1021
  • 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 S988-1021 available by request