S398-0394 Screening compound: 1-[5-(furan-3-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]pyrrolidine

S398-0394 Screening compound: 1-[5-(furan-3-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]pyrrolidine
S398-0394 Screening compound: 1-[5-(furan-3-carbonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S398-0394
1-[5-(furan-3-carbonyl)-1-methyl-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

S398-0394

Molecular Formula

C16H18N4O3 (C16 H18 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cn1nc(C(N2CCCC2)=O)c(C2)c1CN2C(c1cocc1)=O

InChI

InChI=1S/C16H18N4O3/c1-18-13-9-20(15(21)11-4-7-23-10-11)8-12(13)14(17-18)16(22)19-5-2-3-6-19/h4,7,10H,2-3,5-6,8-9H2,1H3

InChI Key

AYXUUVQCCWELBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28993694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.341

Distribution Coefficient, logD

0.341

Water Solubility, LogSw

-1.38

Polar Surface Area

56.683

Acid Dissociation Constant (pKa)

19.82

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

S398-0394 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S398-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S398-0394?
Check Price and Availability of S398-0394, 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 S398-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S398-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S398-0394
  • 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 S398-0394 available by request