4456-1162 Screening compound: N~2~-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2-naphthalenesulfonamide

4456-1162 Screening compound: N~2~-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2-naphthalenesulfonamide
4456-1162 Screening compound: N~2~-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2-naphthalenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-1162
N~2~-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2-naphthalenesulfonamide

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

4456-1162

Molecular Formula

C24H21NO4S (C24 H21 NO4 S)

Compound Name

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

IUPAC name

N-{1111-dimethyl-13-oxo-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yl}naphthalene-2-sulfonamide

SMILES

CC(C)(Cc1c2c(cc(cc3)NS(c4cc5ccccc5cc4)(=O)=O)c3o1)CC2=O

InChI

InChI=1S/C24H21NO4S/c1-24(2)13-20(26)23-19-12-17(8-10-21(19)29-22(23)14-24)25-30(27,28)18-9-7-15-5-3-4-6-16(15)11-18/h3-12,25H,13-14H2,1-2H3

InChI Key

ZKVSWJOCEKWGGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01540909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

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

5.091

Distribution Coefficient, logD

4.867

Water Solubility, LogSw

-5.91

Polar Surface Area

61.980

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-11.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 4456-1162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-1162?
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What is the minimum amount of 4456-1162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-1162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-1162
  • 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 4456-1162 available by request