4896-3408 Screening compound: 2-[(1E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol

4896-3408 Screening compound: 2-[(1E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol
4896-3408 Screening compound: 2-[(1E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-3408
2-[(1E)-2-(3,5-dibromo-2-hydroxyphenyl)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

4896-3408

Molecular Formula

C17H11Br2NO2 (C17 H11 Br2 NO2)

Compound Name

2-[(1E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol

IUPAC name

2-[(1E)-2-(35-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol

SMILES

Oc1c2nc(/C=C/c3cc(Br)cc(Br)c3O)ccc2ccc1

InChI

InChI=1S/C17H11Br2NO2/c18-12-8-11(17(22)14(19)9-12)5-7-13-6-4-10-2-1-3-15(21)16(10)20-13/h1-9,21-22H

InChI Key

RPWDPJBSGSHYCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01929820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.09

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.577

Distribution Coefficient, logD

4.996

Water Solubility, LogSw

-6.56

Polar Surface Area

41.591

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4896-3408 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4896-3408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-3408?
Check Price and Availability of 4896-3408, 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 4896-3408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-3408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-3408
  • 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 4896-3408 available by request