S827-2668 Screening compound: 5-(1-CYCLOPENTANECARBONYL-4,4-DIFLUOROPYRROLIDIN-2-YL)-3-(METHOXYMETHYL)-1,2,4-OXADIAZOLE

S827-2668 Screening compound: 5-(1-CYCLOPENTANECARBONYL-4,4-DIFLUOROPYRROLIDIN-2-YL)-3-(METHOXYMETHYL)-1,2,4-OXADIAZOLE
S827-2668 Screening compound: 5-(1-CYCLOPENTANECARBONYL-4,4-DIFLUOROPYRROLIDIN-2-YL)-3-(METHOXYMETHYL)-1,2,4-OXADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-2668
5-(1-CYCLOPENTANECARBONYL-4,4-DIFLUOROPYRROLIDIN-2-YL)-3-(METHOXYMETHYL)-1,2,4-OXADIAZOLE

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

S827-2668

Molecular Formula

C14H19F2N3O3 (C14 H19 F2 N3 O3)

Compound Name

5-(1-CYCLOPENTANECARBONYL-4,4-DIFLUOROPYRROLIDIN-2-YL)-3-(METHOXYMETHYL)-1,2,4-OXADIAZOLE

IUPAC name

n/a

SMILES

COCc1noc([C@H](CC(C2)(F)F)N2C(C2CCCC2)=O)n1

InChI

InChI=1S/C14H19F2N3O3/c1-21-7-11-17-12(22-18-11)10-6-14(15,16)8-19(10)13(20)9-4-2-3-5-9/h9-10H,2-8H2,1H3/t10-/m1/s1

InChI Key

ZIQRHJLYHXMRQC-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.187

Distribution Coefficient, logD

2.187

Water Solubility, LogSw

-2.06

Polar Surface Area

58.530

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

-5.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.60

S827-2668 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S827-2668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-2668?
Check Price and Availability of S827-2668, 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 S827-2668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-2668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-2668
  • 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 S827-2668 available by request