S984-1048 Screening compound: 1-[5-(3,4-difluorobenzoyl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]ethan-1-one

S984-1048 Screening compound: 1-[5-(3,4-difluorobenzoyl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]ethan-1-one
S984-1048 Screening compound: 1-[5-(3,4-difluorobenzoyl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-1048
1-[5-(3,4-difluorobenzoyl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]ethan-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

S984-1048

Molecular Formula

C20H23F2N3O3 (C20 H23 F2 N3 O3)

Compound Name

1-[5-(3,4-difluorobenzoyl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]ethan-1-one

IUPAC name

1-[(3aS6aS)-5-(34-difluorobenzoyl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[34-c]pyrrol-2-yl]ethan-1-one

SMILES

CC(N(C[C@H]1CN(C2)C(c(cc3)cc(F)c3F)=O)C[C@]12C(N1CCCC1)=O)=O

InChI

InChI=1S/C20H23F2N3O3/c1-13(26)24-9-15-10-25(18(27)14-4-5-16(21)17(22)8-14)12-20(15,11-24)19(28)23-6-2-3-7-23/h4-5,8,15H,2-3,6-7,9-12H2,1H3/t15-,20+/m1/s1

InChI Key

NNBMSXHEVXMVLO-QRWLVFNGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.267

Distribution Coefficient, logD

1.267

Water Solubility, LogSw

-1.95

Polar Surface Area

51.483

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

S984-1048 in Drug Discovery

Included in Screening Libraries

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 S984-1048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-1048?
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What is the minimum amount of S984-1048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-1048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-1048
  • 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 S984-1048 available by request