S805-0043 Screening compound: 5-benzyl-2-[1-(2-cyclopentylacetyl)piperidin-4-yl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

S805-0043 Screening compound: 5-benzyl-2-[1-(2-cyclopentylacetyl)piperidin-4-yl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
S805-0043 Screening compound: 5-benzyl-2-[1-(2-cyclopentylacetyl)piperidin-4-yl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S805-0043
5-benzyl-2-[1-(2-cyclopentylacetyl)piperidin-4-yl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

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

S805-0043

Molecular Formula

C25H33N3O3 (C25 H33 N3 O3)

Compound Name

5-benzyl-2-[1-(2-cyclopentylacetyl)piperidin-4-yl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione

IUPAC name

(3aR6aS)-5-benzyl-2-[1-(2-cyclopentylacetyl)piperidin-4-yl]-octahydropyrrolo[34-c]pyrrole-13-dione

SMILES

O=C(CC1CCCC1)N(CC1)CCC1N(C([C@H]1[C@@H]2CN(Cc3ccccc3)C1)=O)C2=O

InChI

InChI=1S/C25H33N3O3/c29-23(14-18-6-4-5-7-18)27-12-10-20(11-13-27)28-24(30)21-16-26(17-22(21)25(28)31)15-19-8-2-1-3-9-19/h1-3,8-9,18,20-22H,4-7,10-17H2/t21-,22-/m0/s1

InChI Key

DOADGCUXLZBVFE-VXKWHMMOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.204

Distribution Coefficient, logD

0.654

Water Solubility, LogSw

-2.66

Polar Surface Area

49.165

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

8.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.00

S805-0043 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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 S805-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S805-0043?
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What is the minimum amount of S805-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S805-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S805-0043
  • 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 S805-0043 available by request