8002-6405 Screening compound: 4-bromo-2-[(E)-{[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}amino]phenol

8002-6405 Screening compound: 4-bromo-2-[(E)-{[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}amino]phenol
8002-6405 Screening compound: 4-bromo-2-[(E)-{[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}amino]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-6405
4-bromo-2-[(E)-{[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}amino]phenol

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

8002-6405

Molecular Formula

C16H14BrNO2 (C16 H14 BrNO2)

Compound Name

4-bromo-2-[(E)-{[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}amino]phenol

IUPAC name

4-bromo-2-[(E)-{[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}amino]phenol

SMILES

C=CCc1cccc(/C=N/c(cc(cc2)Br)c2O)c1O

InChI

InChI=1S/C16H14BrNO2/c1-2-4-11-5-3-6-12(16(11)20)10-18-14-9-13(17)7-8-15(14)19/h2-3,5-10,19-20H,1,4H2

InChI Key

AVBMFCOVWKTUBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.950

Distribution Coefficient, logD

4.167

Water Solubility, LogSw

-4.49

Polar Surface Area

39.695

Acid Dissociation Constant (pKa)

6.70

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8002-6405 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 8002-6405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-6405?
Check Price and Availability of 8002-6405, 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 8002-6405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-6405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-6405
  • 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 8002-6405 available by request