6145-0993 Screening compound: 4-methoxy-3-nitro-N~1~-(7-oxo-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-1-benzenesulfonamide

6145-0993 Screening compound: 4-methoxy-3-nitro-N~1~-(7-oxo-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-1-benzenesulfonamide
6145-0993 Screening compound: 4-methoxy-3-nitro-N~1~-(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 6145-0993
4-methoxy-3-nitro-N~1~-(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

6145-0993

Molecular Formula

C23H18N2O7S (C23 H18 N2 O7 S)

Compound Name

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

IUPAC name

4-methoxy-3-nitro-N-{12-oxo-17-oxatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(10)246811(16)-hexaen-8-yl}benzene-1-sulfonamide

SMILES

COc(ccc(S(Nc(c1ccccc11)cc2c1oc(CCC1)c2C1=O)(=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C23H18N2O7S/c1-31-20-10-9-13(11-18(20)25(27)28)33(29,30)24-17-12-16-22-19(26)7-4-8-21(22)32-23(16)15-6-3-2-5-14(15)17/h2-3,5-6,9-12,24H,4,7-8H2,1H3

InChI Key

OZWRWQUMARQCKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04065139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

3.913

Water Solubility, LogSw

-4.41

Polar Surface Area

102.226

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-11.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 6145-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6145-0993?
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What is the minimum amount of 6145-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6145-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6145-0993
  • 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 6145-0993 available by request