8017-4550 Screening compound: 4-[(2-chlorophenyl)methanesulfonyl]-2-(phenoxymethyl)morpholine

8017-4550 Screening compound: 4-[(2-chlorophenyl)methanesulfonyl]-2-(phenoxymethyl)morpholine
8017-4550 Screening compound: 4-[(2-chlorophenyl)methanesulfonyl]-2-(phenoxymethyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4550
4-[(2-chlorophenyl)methanesulfonyl]-2-(phenoxymethyl)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

8017-4550

Molecular Formula

C18H20ClNO4S (C18 H20 ClNO4 S)

Compound Name

4-[(2-chlorophenyl)methanesulfonyl]-2-(phenoxymethyl)morpholine

IUPAC name

4-[(2-chlorophenyl)methanesulfonyl]-2-(phenoxymethyl)morpholine

SMILES

O=S(Cc(cccc1)c1Cl)(N1CC(COc2ccccc2)OCC1)=O

InChI

InChI=1S/C18H20ClNO4S/c19-18-9-5-4-6-15(18)14-25(21,22)20-10-11-23-17(12-20)13-24-16-7-2-1-3-8-16/h1-9,17H,10-14H2/t17-/m1/s1

InChI Key

UBMLZHSCPHUAGR-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06016980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.378

Water Solubility, LogSw

-3.47

Polar Surface Area

47.101

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

-9.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8017-4550 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-4550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4550?
Check Price and Availability of 8017-4550, 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 8017-4550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4550
  • 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 8017-4550 available by request