S984-0008 Screening compound: (6aS)-2-[2-(4-chlorophenyl)acetyl]-5-isopropyl-N~3a~,N~3a~-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide

S984-0008 Screening compound: (6aS)-2-[2-(4-chlorophenyl)acetyl]-5-isopropyl-N~3a~,N~3a~-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
S984-0008 Screening compound: (6aS)-2-[2-(4-chlorophenyl)acetyl]-5-isopropyl-N~3a~,N~3a~-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-0008
(6aS)-2-[2-(4-chlorophenyl)acetyl]-5-isopropyl-N~3a~,N~3a~-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide

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

S984-0008

Molecular Formula

C20H28ClN3O2 (C20 H28 ClN3 O2)

Compound Name

(6aS)-2-[2-(4-chlorophenyl)acetyl]-5-isopropyl-N~3a~,N~3a~-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide

IUPAC name

(3aS6aS)-2-[2-(4-chlorophenyl)acetyl]-NN-dimethyl-5-(propan-2-yl)-octahydropyrrolo[34-c]pyrrole-3a-carboxamide

SMILES

CC(C)N(C[C@H]1CN(C2)C(Cc(cc3)ccc3Cl)=O)C[C@]12C(N(C)C)=O

InChI

InChI=1S/C20H28ClN3O2/c1-14(2)23-10-16-11-24(13-20(16,12-23)19(26)22(3)4)18(25)9-15-5-7-17(21)8-6-15/h5-8,14,16H,9-13H2,1-4H3/t16-,20+/m1/s1

InChI Key

AAGJXFNEAMWCLZ-UZLBHIALSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.91

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

1.854

Distribution Coefficient, logD

-4.165

Water Solubility, LogSw

-2.58

Polar Surface Area

36.610

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

13.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

S984-0008 in Drug Discovery

Included in Screening Libraries

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
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S984-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-0008?
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What is the minimum amount of S984-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-0008
  • 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 S984-0008 available by request