8008-5096 Screening compound: (E)-1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-nitrophenyl)methanimine

8008-5096 Screening compound: (E)-1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-nitrophenyl)methanimine
8008-5096 Screening compound: (E)-1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-nitrophenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5096
(E)-1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-nitrophenyl)methanimine

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

8008-5096

Molecular Formula

C15H13BrN2O4 (C15 H13 BrN2 O4)

Compound Name

(E)-1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-nitrophenyl)methanimine

IUPAC name

(E)-1-(5-bromo-24-dimethoxyphenyl)-N-(4-nitrophenyl)methanimine

SMILES

COc(c(/C=N/c(cc1)ccc1[N+]([O-])=O)c1)cc(OC)c1Br

InChI

InChI=1S/C15H13BrN2O4/c1-21-14-8-15(22-2)13(16)7-10(14)9-17-11-3-5-12(6-4-11)18(19)20/h3-9H,1-2H3

InChI Key

VBKDALPWLYORSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00554804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.18

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.37

Polar Surface Area

57.008

Acid Dissociation Constant (pKa)

32.90

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8008-5096 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 8008-5096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5096?
Check Price and Availability of 8008-5096, 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 8008-5096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5096
  • 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 8008-5096 available by request