6145-0994 Screening compound: N~1~-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-4-methoxy-3-nitro-1-benzenesulfonamide

6145-0994 Screening compound: N~1~-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-4-methoxy-3-nitro-1-benzenesulfonamide
6145-0994 Screening compound: N~1~-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-4-methoxy-3-nitro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6145-0994
N~1~-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-4-methoxy-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

6145-0994

Molecular Formula

C25H22N2O7S (C25 H22 N2 O7 S)

Compound Name

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

IUPAC name

N-{1414-dimethyl-12-oxo-17-oxatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(10)246811(16)-hexaen-8-yl}-4-methoxy-3-nitrobenzene-1-sulfonamide

SMILES

CC(C)(Cc1c2c(cc(c3ccccc33)NS(c(cc4)cc([N+]([O-])=O)c4OC)(=O)=O)c3o1)CC2=O

InChI

InChI=1S/C25H22N2O7S/c1-25(2)12-20(28)23-17-11-18(15-6-4-5-7-16(15)24(17)34-22(23)13-25)26-35(31,32)14-8-9-21(33-3)19(10-14)27(29)30/h4-11,26H,12-13H2,1-3H3

InChI Key

WZJXYRBENWPBAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04576687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.52

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

4.576

Distribution Coefficient, logD

4.549

Water Solubility, LogSw

-4.64

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

24.00

References: we are preparing a list of scientific research reports with 6145-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6145-0994?
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What is the minimum amount of 6145-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6145-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6145-0994
  • 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 6145-0994 available by request