S398-0269 Screening compound: N3-cyclopropyl-N5-(2-ethoxyphenyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxamide

S398-0269 Screening compound: N3-cyclopropyl-N5-(2-ethoxyphenyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxamide
S398-0269 Screening compound: N3-cyclopropyl-N5-(2-ethoxyphenyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S398-0269
N3-cyclopropyl-N5-(2-ethoxyphenyl)-1-methyl-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

S398-0269

Molecular Formula

C19H23N5O3 (C19 H23 N5 O3)

Compound Name

N3-cyclopropyl-N5-(2-ethoxyphenyl)-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxamide

IUPAC name

N3-cyclopropyl-N5-(2-ethoxyphenyl)-1-methyl-1H4H5H6H-pyrrolo[34-c]pyrazole-35-dicarboxamide

SMILES

CCOc(cccc1)c1NC(N(C1)Cc2c1c(C(NC1CC1)=O)nn2C)=O

InChI

InChI=1S/C19H23N5O3/c1-3-27-16-7-5-4-6-14(16)21-19(26)24-10-13-15(11-24)23(2)22-17(13)18(25)20-12-8-9-12/h4-7,12H,3,8-11H2,1-2H3,(H,20,25)(H,21,26)

InChI Key

PPFVEMXCXFMXDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31953955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.611

Distribution Coefficient, logD

1.611

Water Solubility, LogSw

-2.22

Polar Surface Area

71.669

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

S398-0269 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with S398-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S398-0269?
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What is the minimum amount of S398-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S398-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S398-0269
  • 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 S398-0269 available by request