S398-0290 Screening compound: N3-cyclopropyl-1-methyl-N5-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxamide

S398-0290 Screening compound: N3-cyclopropyl-1-methyl-N5-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxamide
S398-0290 Screening compound: N3-cyclopropyl-1-methyl-N5-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S398-0290
N3-cyclopropyl-1-methyl-N5-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxamide

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

S398-0290

Molecular Formula

C18H18F3N5O2 (C18 H18 F3 N5 O2)

Compound Name

N3-cyclopropyl-1-methyl-N5-[3-(trifluoromethyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxamide

IUPAC name

N3-cyclopropyl-1-methyl-N5-[3-(trifluoromethyl)phenyl]-1H4H5H6H-pyrrolo[34-c]pyrazole-35-dicarboxamide

SMILES

Cn1nc(C(NC2CC2)=O)c(C2)c1CN2C(Nc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C18H18F3N5O2/c1-25-14-9-26(8-13(14)15(24-25)16(27)22-11-5-6-11)17(28)23-12-4-2-3-10(7-12)18(19,20)21/h2-4,7,11H,5-6,8-9H2,1H3,(H,22,27)(H,23,28)

InChI Key

WSOZQWCXWVREQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31953956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.084

Distribution Coefficient, logD

2.084

Water Solubility, LogSw

-3.10

Polar Surface Area

65.156

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

S398-0290 in Drug Discovery

Included in Screening Libraries

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

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 S398-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S398-0290?
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What is the minimum amount of S398-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S398-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S398-0290
  • 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 S398-0290 available by request