3461-1218 Screening compound: N~1~-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-1-benzenesulfonamide

3461-1218 Screening compound: N~1~-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-1-benzenesulfonamide
3461-1218 Screening compound: N~1~-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-1218
N~1~-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-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

3461-1218

Molecular Formula

C24H21NO4S (C24 H21 NO4 S)

Compound Name

N~1~-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-1-benzenesulfonamide

IUPAC name

N-{1414-dimethyl-12-oxo-17-oxatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1357911(16)-hexaen-8-yl}benzenesulfonamide

SMILES

CC(C)(Cc1c2c(cc(c3ccccc33)NS(c4ccccc4)(=O)=O)c3o1)CC2=O

InChI

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

InChI Key

XALOOBPOJIADQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01165385

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

4.766

Distribution Coefficient, logD

4.751

Water Solubility, LogSw

-4.94

Polar Surface Area

61.515

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-9.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.83

3461-1218 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3461-1218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-1218?
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What is the minimum amount of 3461-1218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-1218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-1218
  • 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 3461-1218 available by request