3461-1681 Screening compound: 4-chloro-N~1~-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-3-nitro-1-benzenesulfonamide

3461-1681 Screening compound: 4-chloro-N~1~-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-3-nitro-1-benzenesulfonamide
3461-1681 Screening compound: 4-chloro-N~1~-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-3-nitro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-1681
4-chloro-N~1~-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-3-nitro-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

3461-1681

Molecular Formula

C23H19ClN2O5S (C23 H19 ClN2 O5 S)

Compound Name

4-chloro-N~1~-(9-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-3-nitro-1-benzenesulfonamide

IUPAC name

4-chloro-N-{14-methyl-17-oxatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(10)2(7)35811(16)-hexaen-8-yl}-3-nitrobenzene-1-sulfonamide

SMILES

CC(CC1)Cc2c1c(cc(c1ccccc11)NS(c(cc3)cc([N+]([O-])=O)c3Cl)(=O)=O)c1o2

InChI

InChI=1S/C23H19ClN2O5S/c1-13-6-8-16-18-12-20(15-4-2-3-5-17(15)23(18)31-22(16)10-13)25-32(29,30)14-7-9-19(24)21(11-14)26(27)28/h2-5,7,9,11-13,25H,6,8,10H2,1H3/t13-/m1/s1

InChI Key

STJGLISOYHGTEB-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD02345040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.063

Distribution Coefficient, logD

5.649

Water Solubility, LogSw

-6.18

Polar Surface Area

81.348

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

-9.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 3461-1681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-1681?
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What is the minimum amount of 3461-1681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-1681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-1681
  • 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 3461-1681 available by request