D335-0545 Screening compound: 2-(2-chlorophenoxy)-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}acetamide

D335-0545 Screening compound: 2-(2-chlorophenoxy)-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}acetamide
D335-0545 Screening compound: 2-(2-chlorophenoxy)-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D335-0545
2-(2-chlorophenoxy)-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}acetamide

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

D335-0545

Molecular Formula

C19H27ClN2O3 (C19 H27 ClN2 O3)

Compound Name

2-(2-chlorophenoxy)-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}acetamide

IUPAC name

2-(2-chlorophenoxy)-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}acetamide

SMILES

O=C(COc(cccc1)c1Cl)NCC1(CCCCC1)N1CCOCC1

InChI

InChI=1S/C19H27ClN2O3/c20-16-6-2-3-7-17(16)25-14-18(23)21-15-19(8-4-1-5-9-19)22-10-12-24-13-11-22/h2-3,6-7H,1,4-5,8-15H2,(H,21,23)

InChI Key

XHAZUTIZIXDZPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08544936

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

366.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

3.006

Water Solubility, LogSw

-3.36

Polar Surface Area

43.166

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

D335-0545 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D335-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D335-0545?
Check Price and Availability of D335-0545, 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 D335-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D335-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D335-0545
  • 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 D335-0545 available by request