S932-1859 Screening compound: 1-[1-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]-4-(ethoxymethyl)-1H-1,2,3-triazole

S932-1859 Screening compound: 1-[1-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]-4-(ethoxymethyl)-1H-1,2,3-triazole
S932-1859 Screening compound: 1-[1-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]-4-(ethoxymethyl)-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-1859
1-[1-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]-4-(ethoxymethyl)-1H-1,2,3-triazole

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

S932-1859

Molecular Formula

C22H27N5O2 (C22 H27 N5 O2)

Compound Name

1-[1-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]-4-(ethoxymethyl)-1H-1,2,3-triazole

IUPAC name

1-[1-(12-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]-4-(ethoxymethyl)-1H-123-triazole

SMILES

CCOCc1cn(C(CC2)CN2C(c2c(C)n(C)c(-c3ccccc3)c2)=O)nn1

InChI

InChI=1S/C22H27N5O2/c1-4-29-15-18-13-27(24-23-18)19-10-11-26(14-19)22(28)20-12-21(25(3)16(20)2)17-8-6-5-7-9-17/h5-9,12-13,19H,4,10-11,14-15H2,1-3H3/t19-/m1/s1

InChI Key

UEDVIDHRFPCIJK-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31953399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.313

Distribution Coefficient, logD

2.313

Water Solubility, LogSw

-2.82

Polar Surface Area

53.507

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

S932-1859 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with S932-1859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-1859?
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What is the minimum amount of S932-1859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-1859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-1859
  • 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 S932-1859 available by request