4298-0228 Screening compound: 4-bromo-2-[(1E)-2-(quinolin-2-yl)ethenyl]phenol

4298-0228 Screening compound: 4-bromo-2-[(1E)-2-(quinolin-2-yl)ethenyl]phenol
4298-0228 Screening compound: 4-bromo-2-[(1E)-2-(quinolin-2-yl)ethenyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4298-0228
4-bromo-2-[(1E)-2-(quinolin-2-yl)ethenyl]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

4298-0228

Molecular Formula

C17H12BrNO (C17 H12 BrNO)

Compound Name

4-bromo-2-[(1E)-2-(quinolin-2-yl)ethenyl]phenol

IUPAC name

4-bromo-2-[(1E)-2-(quinolin-2-yl)ethenyl]phenol

SMILES

Oc(cc1)c(/C=C/c2nc3ccccc3cc2)cc1Br

InChI

InChI=1S/C17H12BrNO/c18-14-7-10-17(20)13(11-14)6-9-15-8-5-12-3-1-2-4-16(12)19-15/h1-11,20H

InChI Key

NDJYIQKCWCPIPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01819206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.19

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.967

Distribution Coefficient, logD

4.902

Water Solubility, LogSw

-5.16

Polar Surface Area

25.341

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4298-0228 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4298-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4298-0228?
Check Price and Availability of 4298-0228, 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 4298-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4298-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4298-0228
  • 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 4298-0228 available by request