S586-0182 Screening compound: 3-{5-[(2,3-difluorophenyl)methyl]-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one

S586-0182 Screening compound: 3-{5-[(2,3-difluorophenyl)methyl]-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one
S586-0182 Screening compound: 3-{5-[(2,3-difluorophenyl)methyl]-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S586-0182
3-{5-[(2,3-difluorophenyl)methyl]-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one

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

S586-0182

Molecular Formula

C19H23F2N5O (C19 H23 F2 N5 O)

Compound Name

3-{5-[(2,3-difluorophenyl)methyl]-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-{5-[(23-difluorophenyl)methyl]-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl}-1-(pyrrolidin-1-yl)propan-1-one

SMILES

O=C(CCc1c(CN(Cc2cccc(F)c2F)CC2)n2nn1)N1CCCC1

InChI

InChI=1S/C19H23F2N5O/c20-15-5-3-4-14(19(15)21)12-24-10-11-26-17(13-24)16(22-23-26)6-7-18(27)25-8-1-2-9-25/h3-5H,1-2,6-13H2

InChI Key

CEQBYTHGTBUTOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31977051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.706

Distribution Coefficient, logD

1.486

Water Solubility, LogSw

-1.91

Polar Surface Area

47.202

Acid Dissociation Constant (pKa)

22.17

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

S586-0182 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)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S586-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S586-0182?
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What is the minimum amount of S586-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S586-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S586-0182
  • 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 S586-0182 available by request