4896-3414 Screening compound: 2-[(1E)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]quinolin-8-ol

4896-3414 Screening compound: 2-[(1E)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]quinolin-8-ol
4896-3414 Screening compound: 2-[(1E)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]quinolin-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-3414
2-[(1E)-2-(3,5-dibromo-4-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

4896-3414

Molecular Formula

C18H13Br2NO2 (C18 H13 Br2 NO2)

Compound Name

2-[(1E)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]quinolin-8-ol

IUPAC name

2-[(1E)-2-(35-dibromo-4-methoxyphenyl)ethenyl]quinolin-8-ol

SMILES

COc(c(Br)cc(/C=C/c(ccc1ccc2)nc1c2O)c1)c1Br

InChI

InChI=1S/C18H13Br2NO2/c1-23-18-14(19)9-11(10-15(18)20)5-7-13-8-6-12-3-2-4-16(22)17(12)21-13/h2-10,22H,1H3

InChI Key

QLNTUIJDNFHSCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01929806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.11

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.402

Distribution Coefficient, logD

5.398

Water Solubility, LogSw

-6.20

Polar Surface Area

33.828

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

4896-3414 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 4896-3414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-3414?
Check Price and Availability of 4896-3414, 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 4896-3414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-3414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-3414
  • 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 4896-3414 available by request