S984-1005 Screening compound: 2-benzoyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

S984-1005 Screening compound: 2-benzoyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
S984-1005 Screening compound: 2-benzoyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-1005
2-benzoyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-octahydropyrrolo[3,4-c]pyrrole-3a-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

S984-1005

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

2-benzoyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-octahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

IUPAC name

(3aR6aR)-2-benzoyl-5-[(35-dimethyl-12-oxazol-4-yl)methyl]-NN-dimethyl-octahydropyrrolo[34-c]pyrrole-3a-carboxamide

SMILES

Cc1noc(C)c1CN(C[C@H]1CN(C2)C(c3ccccc3)=O)C[C@]12C(N(C)C)=O

InChI

InChI=1S/C22H28N4O3/c1-15-19(16(2)29-23-15)12-25-10-18-11-26(20(27)17-8-6-5-7-9-17)14-22(18,13-25)21(28)24(3)4/h5-9,18H,10-14H2,1-4H3/t18-,22+/m1/s1

InChI Key

VTFPQYQKILSHRL-GCJKJVERSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.718

Distribution Coefficient, logD

-5.252

Water Solubility, LogSw

-1.32

Polar Surface Area

58.852

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

13.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S984-1005 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 S984-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-1005?
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What is the minimum amount of S984-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-1005
  • 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 S984-1005 available by request