D185-0572 Screening compound: 1-{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}-2-(2-methoxyphenoxy)ethan-1-one

D185-0572 Screening compound: 1-{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}-2-(2-methoxyphenoxy)ethan-1-one
D185-0572 Screening compound: 1-{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}-2-(2-methoxyphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D185-0572
1-{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}-2-(2-methoxyphenoxy)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

D185-0572

Molecular Formula

C22H34N2O3 (C22 H34 N2 O3)

Compound Name

1-{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}-2-(2-methoxyphenoxy)ethan-1-one

IUPAC name

1-{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}-2-(2-methoxyphenoxy)ethan-1-one

SMILES

COc(cccc1)c1OCC(N1C(CCN2CCCCCC2)CCCC1)=O

InChI

InChI=1S/C22H34N2O3/c1-26-20-11-4-5-12-21(20)27-18-22(25)24-16-9-6-10-19(24)13-17-23-14-7-2-3-8-15-23/h4-5,11-12,19H,2-3,6-10,13-18H2,1H3/t19-/m1/s1

InChI Key

CQLYCVQJVCBCAY-LJQANCHMSA-N

MDL Number (MFCD)

MFCD12916416

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

374.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.381

Distribution Coefficient, logD

1.563

Water Solubility, LogSw

-3.54

Polar Surface Area

35.264

Acid Dissociation Constant (pKa)

25.81

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

D185-0572 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 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
  • 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 D185-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D185-0572?
Check Price and Availability of D185-0572, 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 D185-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D185-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D185-0572
  • 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 D185-0572 available by request