D216-0564 Screening compound: 4-(3-{[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonyl}benzenesulfonyl)morpholine

D216-0564 Screening compound: 4-(3-{[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonyl}benzenesulfonyl)morpholine
D216-0564 Screening compound: 4-(3-{[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonyl}benzenesulfonyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0564
4-(3-{[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonyl}benzenesulfonyl)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

D216-0564

Molecular Formula

C22H28N2O7S2 (C22 H28 N2 O7 S2)

Compound Name

4-(3-{[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonyl}benzenesulfonyl)morpholine

IUPAC name

4-(3-{[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonyl}benzenesulfonyl)morpholine

SMILES

COc(cc1)ccc1OC(CC1)CCN1S(c1cccc(S(N2CCOCC2)(=O)=O)c1)(=O)=O

InChI

InChI=1S/C22H28N2O7S2/c1-29-18-5-7-19(8-6-18)31-20-9-11-23(12-10-20)32(25,26)21-3-2-4-22(17-21)33(27,28)24-13-15-30-16-14-24/h2-8,17,20H,9-16H2,1H3

InChI Key

VXQWASATLZRXFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.679

Distribution Coefficient, logD

2.679

Water Solubility, LogSw

-2.96

Polar Surface Area

85.374

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

D216-0564 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D216-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0564?
Check Price and Availability of D216-0564, 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 D216-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0564
  • 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 D216-0564 available by request