S398-0555 Screening compound: 1-[1-methyl-5-(1-methylcyclohexanecarbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]pyrrolidine

S398-0555 Screening compound: 1-[1-methyl-5-(1-methylcyclohexanecarbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]pyrrolidine
S398-0555 Screening compound: 1-[1-methyl-5-(1-methylcyclohexanecarbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S398-0555
1-[1-methyl-5-(1-methylcyclohexanecarbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]pyrrolidine

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

S398-0555

Molecular Formula

C19H28N4O2 (C19 H28 N4 O2)

Compound Name

1-[1-methyl-5-(1-methylcyclohexanecarbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]pyrrolidine

IUPAC name

1-[1-methyl-5-(1-methylcyclohexanecarbonyl)-1H4H5H6H-pyrrolo[34-c]pyrazole-3-carbonyl]pyrrolidine

SMILES

CC1(CCCCC1)C(N(C1)Cc2c1c(C(N1CCCC1)=O)nn2C)=O

InChI

InChI=1S/C19H28N4O2/c1-19(8-4-3-5-9-19)18(25)23-12-14-15(13-23)21(2)20-16(14)17(24)22-10-6-7-11-22/h3-13H2,1-2H3

InChI Key

CPTRTIXJHVVOOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31954164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.787

Distribution Coefficient, logD

1.787

Water Solubility, LogSw

-1.72

Polar Surface Area

49.072

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.68

S398-0555 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S398-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S398-0555?
Check Price and Availability of S398-0555, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S398-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S398-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S398-0555
  • 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 S398-0555 available by request