6145-1117 Screening compound: N-[(1Z)-3-bromo-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-methoxy-3-nitrobenzene-1-sulfonamide

6145-1117 Screening compound: N-[(1Z)-3-bromo-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-methoxy-3-nitrobenzene-1-sulfonamide
6145-1117 Screening compound: N-[(1Z)-3-bromo-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-methoxy-3-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6145-1117
N-[(1Z)-3-bromo-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-methoxy-3-nitrobenzene-1-sulfonamide

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

6145-1117

Molecular Formula

C17H11BrN2O6S (C17 H11 BrN2 O6 S)

Compound Name

N-[(1Z)-3-bromo-4-oxo-1,4-dihydronaphthalen-1-ylidene]-4-methoxy-3-nitrobenzene-1-sulfonamide

IUPAC name

N-[(1Z)-3-bromo-4-oxo-14-dihydronaphthalen-1-ylidene]-4-methoxy-3-nitrobenzene-1-sulfonamide

SMILES

COc(ccc(S(/N=C(/C=C1Br)\c(cccc2)c2C1=O)(=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C17H11BrN2O6S/c1-26-16-7-6-10(8-15(16)20(22)23)27(24,25)19-14-9-13(18)17(21)12-5-3-2-4-11(12)14/h2-9H,1H3

InChI Key

UEWNBLOXGJPRAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04490370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.25

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.424

Distribution Coefficient, logD

3.424

Water Solubility, LogSw

-4.19

Polar Surface Area

92.967

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 6145-1117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6145-1117?
Check Price and Availability of 6145-1117, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6145-1117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6145-1117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6145-1117
  • 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 6145-1117 available by request