S398-2006 Screening compound: N-cyclopropyl-1-methyl-5-(3-methyl-1,2-oxazole-5-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carboxamide

S398-2006 Screening compound: N-cyclopropyl-1-methyl-5-(3-methyl-1,2-oxazole-5-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carboxamide
S398-2006 Screening compound: N-cyclopropyl-1-methyl-5-(3-methyl-1,2-oxazole-5-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S398-2006
N-cyclopropyl-1-methyl-5-(3-methyl-1,2-oxazole-5-carbonyl)-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

S398-2006

Molecular Formula

C15H17N5O3 (C15 H17 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C(N(C2)Cc3c2c(C(NC2CC2)=O)nn3C)=O)c1

InChI

InChI=1S/C15H17N5O3/c1-8-5-12(23-18-8)15(22)20-6-10-11(7-20)19(2)17-13(10)14(21)16-9-3-4-9/h5,9H,3-4,6-7H2,1-2H3,(H,16,21)

InChI Key

FAHKEZJVEGZZML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31954473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

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

-0.115

Distribution Coefficient, logD

-0.115

Water Solubility, LogSw

-1.28

Polar Surface Area

77.949

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

S398-2006 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)

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 S398-2006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S398-2006?
Check Price and Availability of S398-2006, 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 S398-2006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S398-2006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S398-2006
  • 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 S398-2006 available by request