T802-0476 Screening compound: 2-(3-methoxyphenyl)-1-{2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}ethan-1-one

T802-0476 Screening compound: 2-(3-methoxyphenyl)-1-{2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}ethan-1-one
T802-0476 Screening compound: 2-(3-methoxyphenyl)-1-{2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T802-0476
2-(3-methoxyphenyl)-1-{2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}ethan-1-one

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

T802-0476

Molecular Formula

C20H30N2O3 (C20 H30 N2 O3)

Compound Name

2-(3-methoxyphenyl)-1-{2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}ethan-1-one

IUPAC name

2-(3-methoxyphenyl)-1-{2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}ethan-1-one

SMILES

COc1cccc(CC(N2C(CCN3CCOCC3)CCCC2)=O)c1

InChI

InChI=1S/C20H30N2O3/c1-24-19-7-4-5-17(15-19)16-20(23)22-9-3-2-6-18(22)8-10-21-11-13-25-14-12-21/h4-5,7,15,18H,2-3,6,8-14,16H2,1H3/t18-/m1/s1

InChI Key

CAIPYTNAGBTPIU-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27623488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.419

Distribution Coefficient, logD

2.321

Water Solubility, LogSw

-2.43

Polar Surface Area

35.169

Acid Dissociation Constant (pKa)

18.79

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

T802-0476 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Antiviral
  • Infections
  • 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 T802-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T802-0476?
Check Price and Availability of T802-0476, 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 T802-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T802-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T802-0476
  • 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 T802-0476 available by request