8016-1808 Screening compound: N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]-2-phenethylbenzamide

8016-1808 Screening compound: N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]-2-phenethylbenzamide
8016-1808 Screening compound: N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]-2-phenethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1808
N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]-2-phenethylbenzamide

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

8016-1808

Molecular Formula

C31H28N2O5S (C31 H28 N2 O5 S)

Compound Name

N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]-2-phenethylbenzamide

IUPAC name

N-[12-(morpholine-4-sulfonyl)-8-oxatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-5-yl]-2-(2-phenylethyl)benzamide

SMILES

O=C(c1c(CCc2ccccc2)cccc1)Nc(cc1)cc2c1c(cc(cc1)S(N3CCOCC3)(=O)=O)c1o2

InChI

InChI=1S/C31H28N2O5S/c34-31(26-9-5-4-8-23(26)11-10-22-6-2-1-3-7-22)32-24-12-14-27-28-21-25(13-15-29(28)38-30(27)20-24)39(35,36)33-16-18-37-19-17-33/h1-9,12-15,20-21H,10-11,16-19H2,(H,32,34)

InChI Key

FKXPGEKUZURKKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.695

Distribution Coefficient, logD

6.695

Water Solubility, LogSw

-6.16

Polar Surface Area

70.592

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.35

8016-1808 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8016-1808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1808?
Check Price and Availability of 8016-1808, 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 8016-1808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1808
  • 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 8016-1808 available by request