S427-0842 Screening compound: 2-FLUOROBENZYL (3-{[5-(2-PYRAZINYL)-1,2,4-OXADIAZOL-3-YL]METHYL}PIPERIDINO) SULFONE

S427-0842 Screening compound: 2-FLUOROBENZYL (3-{[5-(2-PYRAZINYL)-1,2,4-OXADIAZOL-3-YL]METHYL}PIPERIDINO) SULFONE
S427-0842 Screening compound: 2-FLUOROBENZYL (3-{[5-(2-PYRAZINYL)-1,2,4-OXADIAZOL-3-YL]METHYL}PIPERIDINO) SULFONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S427-0842
2-FLUOROBENZYL (3-{[5-(2-PYRAZINYL)-1,2,4-OXADIAZOL-3-YL]METHYL}PIPERIDINO) SULFONE

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

S427-0842

Molecular Formula

C19H20FN5O3S (C19 H20 FN5 O3 S)

Compound Name

2-FLUOROBENZYL (3-{[5-(2-PYRAZINYL)-1,2,4-OXADIAZOL-3-YL]METHYL}PIPERIDINO) SULFONE

IUPAC name

2-[3-({1-[(2-fluorophenyl)methanesulfonyl]piperidin-3-yl}methyl)-124-oxadiazol-5-yl]pyrazine

SMILES

O=S(Cc(cccc1)c1F)(N1CC(Cc2noc(-c3nccnc3)n2)CCC1)=O

InChI

InChI=1S/C19H20FN5O3S/c20-16-6-2-1-5-15(16)13-29(26,27)25-9-3-4-14(12-25)10-18-23-19(28-24-18)17-11-21-7-8-22-17/h1-2,5-8,11,14H,3-4,9-10,12-13H2/t14-/m1/s1

InChI Key

QWVJCZNALWDPPE-CQSZACIVSA-N

MDL Number (MFCD)

MFCD29006596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.276

Distribution Coefficient, logD

2.276

Water Solubility, LogSw

-2.29

Polar Surface Area

82.739

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

S427-0842 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S427-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S427-0842?
Check Price and Availability of S427-0842, 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 S427-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S427-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S427-0842
  • 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 S427-0842 available by request