T802-0498 Screening compound: 4-{2-[1-(3,4-difluorobenzoyl)piperidin-2-yl]ethyl}morpholine

T802-0498 Screening compound: 4-{2-[1-(3,4-difluorobenzoyl)piperidin-2-yl]ethyl}morpholine
T802-0498 Screening compound: 4-{2-[1-(3,4-difluorobenzoyl)piperidin-2-yl]ethyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound T802-0498
4-{2-[1-(3,4-difluorobenzoyl)piperidin-2-yl]ethyl}morpholine

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

T802-0498

Molecular Formula

C18H24F2N2O2 (C18 H24 F2 N2 O2)

Compound Name

4-{2-[1-(3,4-difluorobenzoyl)piperidin-2-yl]ethyl}morpholine

IUPAC name

4-{2-[1-(34-difluorobenzoyl)piperidin-2-yl]ethyl}morpholine

SMILES

O=C(c(cc1)cc(F)c1F)N1C(CCN2CCOCC2)CCCC1

InChI

InChI=1S/C18H24F2N2O2/c19-16-5-4-14(13-17(16)20)18(23)22-7-2-1-3-15(22)6-8-21-9-11-24-12-10-21/h4-5,13,15H,1-3,6-12H2/t15-/m1/s1

InChI Key

UOSWPLJQFQUYPV-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27623498

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

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.553

Distribution Coefficient, logD

2.466

Water Solubility, LogSw

-2.64

Polar Surface Area

28.152

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

T802-0498 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T802-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T802-0498?
Check Price and Availability of T802-0498, 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 T802-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T802-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T802-0498
  • 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 T802-0498 available by request