S398-0924 Screening compound: 4-[5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]morpholine

S398-0924 Screening compound: 4-[5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]morpholine
S398-0924 Screening compound: 4-[5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S398-0924
4-[5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]morpholine

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

S398-0924

Molecular Formula

C17H21N5O3S (C17 H21 N5 O3 S)

Compound Name

4-[5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]morpholine

IUPAC name

4-[5-(24-dimethyl-13-thiazole-5-carbonyl)-1-methyl-1H4H5H6H-pyrrolo[34-c]pyrazole-3-carbonyl]morpholine

SMILES

Cc1c(C(N(C2)Cc3c2c(C(N2CCOCC2)=O)nn3C)=O)sc(C)n1

InChI

InChI=1S/C17H21N5O3S/c1-10-15(26-11(2)18-10)17(24)22-8-12-13(9-22)20(3)19-14(12)16(23)21-4-6-25-7-5-21/h4-9H2,1-3H3

InChI Key

WGUZYENICUCJQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31954362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.160

Distribution Coefficient, logD

0.160

Water Solubility, LogSw

-0.83

Polar Surface Area

66.811

Acid Dissociation Constant (pKa)

19.77

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

S398-0924 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S398-0924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S398-0924?
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What is the minimum amount of S398-0924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S398-0924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S398-0924
  • 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 S398-0924 available by request