S984-0184 Screening compound: (6aS)-5-benzyl-N-(2-furylmethyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide

S984-0184 Screening compound: (6aS)-5-benzyl-N-(2-furylmethyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide
S984-0184 Screening compound: (6aS)-5-benzyl-N-(2-furylmethyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-0184
(6aS)-5-benzyl-N-(2-furylmethyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide

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

S984-0184

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

(6aS)-5-benzyl-N-(2-furylmethyl)-N~3a~,N~3a~-dimethyltetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxamide

IUPAC name

(3aS6aS)-5-benzyl-N2-[(furan-2-yl)methyl]-N3aN3a-dimethyl-octahydropyrrolo[34-c]pyrrole-23a-dicarboxamide

SMILES

CN(C)C([C@@](CN(Cc1ccccc1)C1)(C2)[C@@H]1CN2C(NCc1ccco1)=O)=O

InChI

InChI=1S/C22H28N4O3/c1-24(2)20(27)22-15-25(12-17-7-4-3-5-8-17)13-18(22)14-26(16-22)21(28)23-11-19-9-6-10-29-19/h3-10,18H,11-16H2,1-2H3,(H,23,28)/t18-,22+/m1/s1

InChI Key

YVHXSLLMCJBTER-GCJKJVERSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.474

Distribution Coefficient, logD

-2.665

Water Solubility, LogSw

-1.81

Polar Surface Area

54.706

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

11.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.46

S984-0184 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S984-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-0184?
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What is the minimum amount of S984-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-0184
  • 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 S984-0184 available by request