D185-0689 Screening compound: 4-{2-[1-(4-butoxybenzoyl)piperidin-2-yl]ethyl}morpholine

D185-0689 Screening compound: 4-{2-[1-(4-butoxybenzoyl)piperidin-2-yl]ethyl}morpholine
D185-0689 Screening compound: 4-{2-[1-(4-butoxybenzoyl)piperidin-2-yl]ethyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound D185-0689
4-{2-[1-(4-butoxybenzoyl)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

D185-0689

Molecular Formula

C22H34N2O3 (C22 H34 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1C(N1C(CCN2CCOCC2)CCCC1)=O

InChI

InChI=1S/C22H34N2O3/c1-2-3-16-27-21-9-7-19(8-10-21)22(25)24-12-5-4-6-20(24)11-13-23-14-17-26-18-15-23/h7-10,20H,2-6,11-18H2,1H3/t20-/m1/s1

InChI Key

CTKGQJWXCUAAPH-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD12915226

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

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.693

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-3.66

Polar Surface Area

35.570

Acid Dissociation Constant (pKa)

27.04

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

D185-0689 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D185-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D185-0689?
Check Price and Availability of D185-0689, 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 D185-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D185-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D185-0689
  • 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 D185-0689 available by request