4896-3971 Screening compound: 2-[(1E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]quinolin-8-ol

4896-3971 Screening compound: 2-[(1E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]quinolin-8-ol
4896-3971 Screening compound: 2-[(1E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]quinolin-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-3971
2-[(1E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]quinolin-8-ol

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

4896-3971

Molecular Formula

C18H14BrNO3 (C18 H14 BrNO3)

Compound Name

2-[(1E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]quinolin-8-ol

IUPAC name

2-[(1E)-2-(2-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]quinolin-8-ol

SMILES

COc(c(O)c1)cc(/C=C/c(ccc2ccc3)nc2c3O)c1Br

InChI

InChI=1S/C18H14BrNO3/c1-23-17-9-12(14(19)10-16(17)22)6-8-13-7-5-11-3-2-4-15(21)18(11)20-13/h2-10,21-22H,1H3

InChI Key

YOCHPEADEQUVAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02182555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.175

Distribution Coefficient, logD

4.146

Water Solubility, LogSw

-4.11

Polar Surface Area

50.290

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

4896-3971 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with 4896-3971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-3971?
Check Price and Availability of 4896-3971, 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 4896-3971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-3971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-3971
  • 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 4896-3971 available by request