S830-3868 Screening compound: 3-({[4,4-difluoro-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methoxy}methyl)pyridine

S830-3868 Screening compound: 3-({[4,4-difluoro-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methoxy}methyl)pyridine
S830-3868 Screening compound: 3-({[4,4-difluoro-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methoxy}methyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S830-3868
3-({[4,4-difluoro-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methoxy}methyl)pyridine

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

S830-3868

Molecular Formula

C18H20F2N2O3 (C18 H20 F2 N2 O3)

Compound Name

3-({[4,4-difluoro-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methoxy}methyl)pyridine

IUPAC name

3-({[44-difluoro-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methoxy}methyl)pyridine

SMILES

Cc(occ1)c1C(N(CC1)CC(COCc2cnccc2)C1(F)F)=O

InChI

InChI=1S/C18H20F2N2O3/c1-13-16(4-8-25-13)17(23)22-7-5-18(19,20)15(10-22)12-24-11-14-3-2-6-21-9-14/h2-4,6,8-9,15H,5,7,10-12H2,1H3/t15-/m1/s1

InChI Key

RFNWMSIVZWLLPX-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD30459391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.071

Distribution Coefficient, logD

2.071

Water Solubility, LogSw

-2.05

Polar Surface Area

42.734

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S830-3868 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S830-3868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S830-3868?
Check Price and Availability of S830-3868, 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 S830-3868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S830-3868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S830-3868
  • 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 S830-3868 available by request