3461-1686 Screening compound: 4-methyl-N~1~-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-1-benzenesulfonamide

3461-1686 Screening compound: 4-methyl-N~1~-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-1-benzenesulfonamide
3461-1686 Screening compound: 4-methyl-N~1~-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-1686
4-methyl-N~1~-(9-methyl-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

3461-1686

Molecular Formula

C24H23NO3S (C24 H23 NO3 S)

Compound Name

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

IUPAC name

4-methyl-N-{14-methyl-17-oxatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(10)2(7)35811(16)-hexaen-8-yl}benzene-1-sulfonamide

SMILES

CC(CC1)Cc2c1c(cc(c1ccccc11)NS(c3ccc(C)cc3)(=O)=O)c1o2

InChI

InChI=1S/C24H23NO3S/c1-15-7-10-17(11-8-15)29(26,27)25-22-14-21-19-12-9-16(2)13-23(19)28-24(21)20-6-4-3-5-18(20)22/h3-8,10-11,14,16,25H,9,12-13H2,1-2H3/t16-/m1/s1

InChI Key

DDMVUGFGNZXGMM-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02345045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.146

Distribution Coefficient, logD

6.131

Water Solubility, LogSw

-5.80

Polar Surface Area

48.267

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-7.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3461-1686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-1686?
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What is the minimum amount of 3461-1686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-1686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-1686
  • 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 3461-1686 available by request