S330-0779 Screening compound: (3,4-difluorophenyl){4-[(1-methyl-4-piperidyl)oxy]piperidino}methanone

S330-0779 Screening compound: (3,4-difluorophenyl){4-[(1-methyl-4-piperidyl)oxy]piperidino}methanone
S330-0779 Screening compound: (3,4-difluorophenyl){4-[(1-methyl-4-piperidyl)oxy]piperidino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S330-0779
(3,4-difluorophenyl){4-[(1-methyl-4-piperidyl)oxy]piperidino}methanone

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

S330-0779

Molecular Formula

C18H24F2N2O2 (C18 H24 F2 N2 O2)

Compound Name

(3,4-difluorophenyl){4-[(1-methyl-4-piperidyl)oxy]piperidino}methanone

IUPAC name

1-(34-difluorobenzoyl)-4-[(1-methylpiperidin-4-yl)oxy]piperidine

SMILES

CN(CC1)CCC1OC(CC1)CCN1C(c(cc1)cc(F)c1F)=O

InChI

InChI=1S/C18H24F2N2O2/c1-21-8-4-14(5-9-21)24-15-6-10-22(11-7-15)18(23)13-2-3-16(19)17(20)12-13/h2-3,12,14-15H,4-11H2,1H3

InChI Key

BNLRHWFPPLDAKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.402

Distribution Coefficient, logD

-0.893

Water Solubility, LogSw

-1.93

Polar Surface Area

26.331

Acid Dissociation Constant (pKa)

27.77

Base Dissociation Constant (pKb)

9.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

S330-0779 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

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

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S330-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S330-0779?
Check Price and Availability of S330-0779, 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 S330-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S330-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S330-0779
  • 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 S330-0779 available by request