5591-1904 Screening compound: 2,4,5-trimethyl-N~1~-(9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

5591-1904 Screening compound: 2,4,5-trimethyl-N~1~-(9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide
5591-1904 Screening compound: 2,4,5-trimethyl-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 5591-1904
2,4,5-trimethyl-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

5591-1904

Molecular Formula

C21H21NO4S (C21 H21 NO4 S)

Compound Name

2,4,5-trimethyl-N~1~-(9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

IUPAC name

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

SMILES

Cc(c(C)c1)cc(C)c1S(Nc(cc1)cc2c1oc(CCC1)c2C1=O)(=O)=O

InChI

InChI=1S/C21H21NO4S/c1-12-9-14(3)20(10-13(12)2)27(24,25)22-15-7-8-18-16(11-15)21-17(23)5-4-6-19(21)26-18/h7-11,22H,4-6H2,1-3H3

InChI Key

OBNOOKLKXZPBFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03464968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.771

Distribution Coefficient, logD

4.522

Water Solubility, LogSw

-4.76

Polar Surface Area

62.251

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

-11.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5591-1904 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 5591-1904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-1904?
Check Price and Availability of 5591-1904, 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 5591-1904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-1904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-1904
  • 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 5591-1904 available by request