8003-5832 Screening compound: 1-{[(4-bromophenyl)imino]methyl}-2-naphthyl 4-nitro-1-benzenesulfonate

8003-5832 Screening compound: 1-{[(4-bromophenyl)imino]methyl}-2-naphthyl 4-nitro-1-benzenesulfonate
8003-5832 Screening compound: 1-{[(4-bromophenyl)imino]methyl}-2-naphthyl 4-nitro-1-benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5832
1-{[(4-bromophenyl)imino]methyl}-2-naphthyl 4-nitro-1-benzenesulfonate

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

8003-5832

Molecular Formula

C23H15BrN2O5S (C23 H15 BrN2 O5 S)

Compound Name

1-{[(4-bromophenyl)imino]methyl}-2-naphthyl 4-nitro-1-benzenesulfonate

IUPAC name

1-[(E)-[(4-bromophenyl)imino]methyl]naphthalen-2-yl 4-nitrobenzene-1-sulfonate

SMILES

[O-][N+](c(cc1)ccc1S(Oc1c(/C=N/c(cc2)ccc2Br)c2ccccc2cc1)(=O)=O)=O

InChI

InChI=1S/C23H15BrN2O5S/c24-17-6-8-18(9-7-17)25-15-22-21-4-2-1-3-16(21)5-14-23(22)31-32(29,30)20-12-10-19(11-13-20)26(27)28/h1-15H

InChI Key

MTMPLNPDPDKPNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00713915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.161

Distribution Coefficient, logD

6.161

Water Solubility, LogSw

-7.20

Polar Surface Area

77.324

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-5832 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8003-5832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5832?
Check Price and Availability of 8003-5832, 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 8003-5832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5832
  • 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 8003-5832 available by request