S398-0328 Screening compound: N-cyclopropyl-5-(1-ethyl-1H-pyrazole-5-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carboxamide

S398-0328 Screening compound: N-cyclopropyl-5-(1-ethyl-1H-pyrazole-5-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carboxamide
S398-0328 Screening compound: N-cyclopropyl-5-(1-ethyl-1H-pyrazole-5-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S398-0328
N-cyclopropyl-5-(1-ethyl-1H-pyrazole-5-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-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

S398-0328

Molecular Formula

C16H20N6O2 (C16 H20 N6 O2)

Compound Name

N-cyclopropyl-5-(1-ethyl-1H-pyrazole-5-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carboxamide

IUPAC name

N-cyclopropyl-5-(1-ethyl-1H-pyrazole-5-carbonyl)-1-methyl-1H4H5H6H-pyrrolo[34-c]pyrazole-3-carboxamide

SMILES

CCn1nccc1C(N(C1)Cc2c1c(C(NC1CC1)=O)nn2C)=O

InChI

InChI=1S/C16H20N6O2/c1-3-22-12(6-7-17-22)16(24)21-8-11-13(9-21)20(2)19-14(11)15(23)18-10-4-5-10/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,23)

InChI Key

WDRMQANYZXNHNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31953959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.419

Distribution Coefficient, logD

-0.419

Water Solubility, LogSw

-1.70

Polar Surface Area

69.424

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S398-0328 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S398-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S398-0328?
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What is the minimum amount of S398-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S398-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S398-0328
  • 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 S398-0328 available by request