S398-0097 Screening compound: N-cyclopropyl-5-(2-fluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carboxamide

S398-0097 Screening compound: N-cyclopropyl-5-(2-fluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carboxamide
S398-0097 Screening compound: N-cyclopropyl-5-(2-fluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S398-0097
N-cyclopropyl-5-(2-fluorobenzenesulfonyl)-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

S398-0097

Molecular Formula

C16H17FN4O3S (C16 H17 FN4 O3 S)

Compound Name

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

IUPAC name

N-cyclopropyl-5-(2-fluorobenzenesulfonyl)-1-methyl-1H4H5H6H-pyrrolo[34-c]pyrazole-3-carboxamide

SMILES

Cn1nc(C(NC2CC2)=O)c(C2)c1CN2S(c(cccc1)c1F)(=O)=O

InChI

InChI=1S/C16H17FN4O3S/c1-20-13-9-21(25(23,24)14-5-3-2-4-12(14)17)8-11(13)15(19-20)16(22)18-10-6-7-10/h2-5,10H,6-9H2,1H3,(H,18,22)

InChI Key

VEBMGHVNXFDZJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31953640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.746

Distribution Coefficient, logD

0.746

Water Solubility, LogSw

-2.31

Polar Surface Area

71.398

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

S398-0097 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S398-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S398-0097?
Check Price and Availability of S398-0097, 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 S398-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S398-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S398-0097
  • 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 S398-0097 available by request