S398-0365 Screening compound: N-cyclopropyl-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carboxamide

S398-0365 Screening compound: N-cyclopropyl-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carboxamide
S398-0365 Screening compound: N-cyclopropyl-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S398-0365
N-cyclopropyl-5-(3,5-dimethyl-1,2-oxazole-4-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

S398-0365

Molecular Formula

C16H19N5O3 (C16 H19 N5 O3)

Compound Name

N-cyclopropyl-5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carboxamide

IUPAC name

N-cyclopropyl-5-(35-dimethyl-12-oxazole-4-carbonyl)-1-methyl-1H4H5H6H-pyrrolo[34-c]pyrazole-3-carboxamide

SMILES

Cc1noc(C)c1C(N(C1)Cc2c1c(C(NC1CC1)=O)nn2C)=O

InChI

InChI=1S/C16H19N5O3/c1-8-13(9(2)24-19-8)16(23)21-6-11-12(7-21)20(3)18-14(11)15(22)17-10-4-5-10/h10H,4-7H2,1-3H3,(H,17,22)

InChI Key

ZKYMTMWOLDPVGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31953960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.208

Distribution Coefficient, logD

-0.208

Water Solubility, LogSw

-0.95

Polar Surface Area

78.374

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S398-0365 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 S398-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S398-0365?
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What is the minimum amount of S398-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S398-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S398-0365
  • 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 S398-0365 available by request