5591-2202 Screening compound: 4-methoxy-N~1~-(9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

5591-2202 Screening compound: 4-methoxy-N~1~-(9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide
5591-2202 Screening compound: 4-methoxy-N~1~-(9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2202
4-methoxy-N~1~-(9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

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

5591-2202

Molecular Formula

C19H17NO5S (C19 H17 NO5 S)

Compound Name

4-methoxy-N~1~-(9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

IUPAC name

4-methoxy-N-{13-oxo-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yl}benzene-1-sulfonamide

SMILES

COc(cc1)ccc1S(Nc(cc1)cc2c1oc(CCC1)c2C1=O)(=O)=O

InChI

InChI=1S/C19H17NO5S/c1-24-13-6-8-14(9-7-13)26(22,23)20-12-5-10-17-15(11-12)19-16(21)3-2-4-18(19)25-17/h5-11,20H,2-4H2,1H3

InChI Key

RCZCFVIMBGESDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03470842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-4.12

Polar Surface Area

69.795

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-12.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

5591-2202 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5591-2202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2202?
Check Price and Availability of 5591-2202, 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 5591-2202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2202
  • 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 5591-2202 available by request