8016-5484 Screening compound: 4-(dibenzo[b,d]furan-2-ylsulfonyl)-2-(phenoxymethyl)morpholine

8016-5484 Screening compound: 4-(dibenzo[b,d]furan-2-ylsulfonyl)-2-(phenoxymethyl)morpholine
8016-5484 Screening compound: 4-(dibenzo[b,d]furan-2-ylsulfonyl)-2-(phenoxymethyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5484
4-(dibenzo[b,d]furan-2-ylsulfonyl)-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

8016-5484

Molecular Formula

C23H21NO5S (C23 H21 NO5 S)

Compound Name

4-(dibenzo[b,d]furan-2-ylsulfonyl)-2-(phenoxymethyl)morpholine

IUPAC name

4-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2461012-hexaene-4-sulfonyl}-2-(phenoxymethyl)morpholine

SMILES

O=S(c(cc1)cc2c1oc1c2cccc1)(N1CC(COc2ccccc2)OCC1)=O

InChI

InChI=1S/C23H21NO5S/c25-30(26,19-10-11-23-21(14-19)20-8-4-5-9-22(20)29-23)24-12-13-27-18(15-24)16-28-17-6-2-1-3-7-17/h1-11,14,18H,12-13,15-16H2/t18-/m1/s1

InChI Key

YPAKHOOSPZRLCG-GOSISDBHSA-N

MDL Number (MFCD)

MFCD05857243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

4.924

Water Solubility, LogSw

-5.06

Polar Surface Area

55.121

Acid Dissociation Constant (pKa)

26.27

Base Dissociation Constant (pKb)

-7.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

8016-5484 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8016-5484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5484?
Check Price and Availability of 8016-5484, 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 8016-5484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5484
  • 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 8016-5484 available by request