S986-0351 Screening compound: {[2-benzoyl-5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl}dimethylamine

S986-0351 Screening compound: {[2-benzoyl-5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl}dimethylamine
S986-0351 Screening compound: {[2-benzoyl-5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl}dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound S986-0351
{[2-benzoyl-5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl}dimethylamine

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

S986-0351

Molecular Formula

C22H28N4O2S (C22 H28 N4 O2 S)

Compound Name

{[2-benzoyl-5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-3a-yl]methyl}dimethylamine

IUPAC name

{[(3aR6aR)-2-benzoyl-5-(24-dimethyl-13-thiazole-5-carbonyl)-octahydropyrrolo[34-c]pyrrol-3a-yl]methyl}dimethylamine

SMILES

Cc1c(C(N(C2)C[C@@](CN(C)C)(C3)[C@H]2CN3C(c2ccccc2)=O)=O)sc(C)n1

InChI

InChI=1S/C22H28N4O2S/c1-15-19(29-16(2)23-15)21(28)26-11-18-10-25(13-22(18,14-26)12-24(3)4)20(27)17-8-6-5-7-9-17/h5-9,18H,10-14H2,1-4H3/t18-,22-/m1/s1

InChI Key

MCZLHCSJXIOPNJ-XMSQKQJNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.723

Distribution Coefficient, logD

-1.335

Water Solubility, LogSw

-2.22

Polar Surface Area

48.005

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

10.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S986-0351 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S986-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S986-0351?
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What is the minimum amount of S986-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S986-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S986-0351
  • 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 S986-0351 available by request