S984-0193 Screening compound: (6aS)-2-benzyl-5-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N~3a~,N~3a~-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide

S984-0193 Screening compound: (6aS)-2-benzyl-5-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N~3a~,N~3a~-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
S984-0193 Screening compound: (6aS)-2-benzyl-5-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N~3a~,N~3a~-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-0193
(6aS)-2-benzyl-5-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-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

S984-0193

Molecular Formula

C22H29N5O2 (C22 H29 N5 O2)

Compound Name

(6aS)-2-benzyl-5-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N~3a~,N~3a~-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide

IUPAC name

(3aS6aS)-2-benzyl-5-(15-dimethyl-1H-pyrazole-3-carbonyl)-NN-dimethyl-octahydropyrrolo[34-c]pyrrole-3a-carboxamide

SMILES

Cc1cc(C(N(C[C@@H]2CN(Cc3ccccc3)C3)C[C@@]23C(N(C)C)=O)=O)nn1C

InChI

InChI=1S/C22H29N5O2/c1-16-10-19(23-25(16)4)20(28)27-13-18-12-26(11-17-8-6-5-7-9-17)14-22(18,15-27)21(29)24(2)3/h5-10,18H,11-15H2,1-4H3/t18-,22+/m1/s1

InChI Key

CTYPJWVOGDZYMW-GCJKJVERSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.516

Distribution Coefficient, logD

-3.883

Water Solubility, LogSw

-1.58

Polar Surface Area

51.301

Acid Dissociation Constant (pKa)

25.49

Base Dissociation Constant (pKb)

11.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S984-0193 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 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 S984-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-0193?
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What is the minimum amount of S984-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-0193
  • 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 S984-0193 available by request