S984-0173 Screening compound: (6aS)-2-benzyl-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N~3a~,N~3a~-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide

S984-0173 Screening compound: (6aS)-2-benzyl-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N~3a~,N~3a~-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
S984-0173 Screening compound: (6aS)-2-benzyl-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N~3a~,N~3a~-dimethylhexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-0173
(6aS)-2-benzyl-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-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

S984-0173

Molecular Formula

C24H33N5O2 (C24 H33 N5 O2)

Compound Name

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

IUPAC name

(3aS6aS)-2-benzyl-5-[3-(35-dimethyl-1H-pyrazol-1-yl)propanoyl]-NN-dimethyl-octahydropyrrolo[34-c]pyrrole-3a-carboxamide

SMILES

Cc1cc(C)nn1CCC(N(C[C@@H]1CN(Cc2ccccc2)C2)C[C@]12C(N(C)C)=O)=O

InChI

InChI=1S/C24H33N5O2/c1-18-12-19(2)29(25-18)11-10-22(30)28-15-21-14-27(13-20-8-6-5-7-9-20)16-24(21,17-28)23(31)26(3)4/h5-9,12,21H,10-11,13-17H2,1-4H3/t21-,24-/m0/s1

InChI Key

FVEGGEYHSDWBFI-URXFXBBRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.325

Distribution Coefficient, logD

-4.191

Water Solubility, LogSw

-1.51

Polar Surface Area

50.272

Acid Dissociation Constant (pKa)

23.21

Base Dissociation Constant (pKb)

11.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.17

S984-0173 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 S984-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-0173?
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What is the minimum amount of S984-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-0173
  • 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 S984-0173 available by request