S827-0281 Screening compound: 2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]-5-fluoropyridine

S827-0281 Screening compound: 2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]-5-fluoropyridine
S827-0281 Screening compound: 2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]-5-fluoropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-0281
2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]-5-fluoropyridine

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

S827-0281

Molecular Formula

C15H13F3N4O2 (C15 H13 F3 N4 O2)

Compound Name

2-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidine-1-carbonyl]-5-fluoropyridine

IUPAC name

2-[(2S)-2-(3-cyclopropyl-124-oxadiazol-5-yl)-44-difluoropyrrolidine-1-carbonyl]-5-fluoropyridine

SMILES

O=C(c(cc1)ncc1F)N(CC(C1)(F)F)[C@@H]1c1nc(C2CC2)no1

InChI

InChI=1S/C15H13F3N4O2/c16-9-3-4-10(19-6-9)14(23)22-7-15(17,18)5-11(22)13-20-12(21-24-13)8-1-2-8/h3-4,6,8,11H,1-2,5,7H2/t11-/m0/s1

InChI Key

FCUSWDBOGJAKCW-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.820

Distribution Coefficient, logD

2.820

Water Solubility, LogSw

-2.94

Polar Surface Area

57.946

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

S827-0281 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S827-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-0281?
Check Price and Availability of S827-0281, 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 S827-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-0281
  • 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 S827-0281 available by request