7241-0797 Screening compound: N~1~-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-ethoxy-1-benzenesulfonamide

7241-0797 Screening compound: N~1~-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-ethoxy-1-benzenesulfonamide
7241-0797 Screening compound: N~1~-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-ethoxy-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7241-0797
N~1~-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-ethoxy-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

7241-0797

Molecular Formula

C22H23NO5S (C22 H23 NO5 S)

Compound Name

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

IUPAC name

N-{1111-dimethyl-13-oxo-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)246-tetraen-4-yl}-4-ethoxybenzene-1-sulfonamide

SMILES

CCOc(cc1)ccc1S(Nc(cc1)cc2c1oc(CC(C)(C)C1)c2C1=O)(=O)=O

InChI

InChI=1S/C22H23NO5S/c1-4-27-15-6-8-16(9-7-15)29(25,26)23-14-5-10-19-17(11-14)21-18(24)12-22(2,3)13-20(21)28-19/h5-11,23H,4,12-13H2,1-3H3

InChI Key

GQTBDTROUQYPOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.438

Distribution Coefficient, logD

4.431

Water Solubility, LogSw

-4.47

Polar Surface Area

69.375

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-12.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

7241-0797 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 7241-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7241-0797?
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What is the minimum amount of 7241-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7241-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7241-0797
  • 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 7241-0797 available by request