S827-5717 Screening compound: 2-{5-[4,4-difluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl}pyrimidine

S827-5717 Screening compound: 2-{5-[4,4-difluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl}pyrimidine
S827-5717 Screening compound: 2-{5-[4,4-difluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl}pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-5717
2-{5-[4,4-difluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl}pyrimidine

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

S827-5717

Molecular Formula

C15H15F2N5O2 (C15 H15 F2 N5 O2)

Compound Name

2-{5-[4,4-difluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl}pyrimidine

IUPAC name

2-{5-[(2S)-44-difluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-124-oxadiazol-3-yl}pyrimidine

SMILES

CC1(CC1)C(N(CC(C1)(F)F)[C@@H]1c1nc(-c2ncccn2)no1)=O

InChI

InChI=1S/C15H15F2N5O2/c1-14(3-4-14)13(23)22-8-15(16,17)7-9(22)12-20-11(21-24-12)10-18-5-2-6-19-10/h2,5-6,9H,3-4,7-8H2,1H3/t9-/m1/s1

InChI Key

FHULNXHXJTWKBB-SECBINFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.941

Distribution Coefficient, logD

0.941

Water Solubility, LogSw

-1.07

Polar Surface Area

68.244

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

S827-5717 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)

Soluble Diversity Library (15920 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 S827-5717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-5717?
Check Price and Availability of S827-5717, 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 S827-5717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-5717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-5717
  • 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 S827-5717 available by request