3461-0670 Screening compound: N~2~-(4-chloro-7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2-naphthalenesulfonamide

3461-0670 Screening compound: N~2~-(4-chloro-7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2-naphthalenesulfonamide
3461-0670 Screening compound: N~2~-(4-chloro-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 3461-0670
N~2~-(4-chloro-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

3461-0670

Molecular Formula

C24H20ClNO4S (C24 H20 ClNO4 S)

Compound Name

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

IUPAC name

N-{6-chloro-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)(Cc1c2c3cc(NS(c4cc5ccccc5cc4)(=O)=O)cc(Cl)c3o1)CC2=O

InChI

InChI=1S/C24H20ClNO4S/c1-24(2)12-20(27)22-18-10-16(11-19(25)23(18)30-21(22)13-24)26-31(28,29)17-8-7-14-5-3-4-6-15(14)9-17/h3-11,26H,12-13H2,1-2H3

InChI Key

RBYUREVPKMRZJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03192921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.95

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

5.509

Distribution Coefficient, logD

3.792

Water Solubility, LogSw

-6.29

Polar Surface Area

62.213

Acid Dissociation Constant (pKa)

5.69

Base Dissociation Constant (pKb)

-12.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 3461-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-0670?
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What is the minimum amount of 3461-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-0670
  • 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 3461-0670 available by request