S986-0345 Screening compound: ({2-benzoyl-5-cyclopentanecarbonyl-octahydropyrrolo[3,4-c]pyrrol-3a-yl}methyl)dimethylamine

S986-0345 Screening compound: ({2-benzoyl-5-cyclopentanecarbonyl-octahydropyrrolo[3,4-c]pyrrol-3a-yl}methyl)dimethylamine
S986-0345 Screening compound: ({2-benzoyl-5-cyclopentanecarbonyl-octahydropyrrolo[3,4-c]pyrrol-3a-yl}methyl)dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound S986-0345
({2-benzoyl-5-cyclopentanecarbonyl-octahydropyrrolo[3,4-c]pyrrol-3a-yl}methyl)dimethylamine

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

S986-0345

Molecular Formula

C22H31N3O2 (C22 H31 N3 O2)

Compound Name

({2-benzoyl-5-cyclopentanecarbonyl-octahydropyrrolo[3,4-c]pyrrol-3a-yl}methyl)dimethylamine

IUPAC name

{[(3aS6aS)-2-benzoyl-5-cyclopentanecarbonyl-octahydropyrrolo[34-c]pyrrol-3a-yl]methyl}dimethylamine

SMILES

CN(C)C[C@](CN(C1)C(C2CCCC2)=O)(C2)[C@H]1CN2C(c1ccccc1)=O

InChI

InChI=1S/C22H31N3O2/c1-23(2)14-22-15-24(20(26)17-8-4-3-5-9-17)12-19(22)13-25(16-22)21(27)18-10-6-7-11-18/h3-5,8-9,18-19H,6-7,10-16H2,1-2H3/t19-,22-/m1/s1

InChI Key

UXNUIFNOIRHKQP-DENIHFKCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.903

Distribution Coefficient, logD

-1.214

Water Solubility, LogSw

-2.27

Polar Surface Area

38.175

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

10.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.64

S986-0345 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 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
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S986-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S986-0345?
Check Price and Availability of S986-0345, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S986-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S986-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S986-0345
  • 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 S986-0345 available by request