0164-0009 Screening compound: (2E)-1-(4-bromophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one

0164-0009 Screening compound: (2E)-1-(4-bromophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
0164-0009 Screening compound: (2E)-1-(4-bromophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0164-0009
(2E)-1-(4-bromophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one

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

0164-0009

Molecular Formula

C16H13BrO2 (C16 H13 BrO2)

Compound Name

(2E)-1-(4-bromophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one

IUPAC name

(2E)-1-(4-bromophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one

SMILES

COc1cccc(/C=C/C(c(cc2)ccc2Br)=O)c1

InChI

InChI=1S/C16H13BrO2/c1-19-15-4-2-3-12(11-15)5-10-16(18)13-6-8-14(17)9-7-13/h2-11H,1H3

InChI Key

GFECHTODZQBLOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00225981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.18

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.642

Distribution Coefficient, logD

4.642

Water Solubility, LogSw

-4.57

Polar Surface Area

20.758

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

0164-0009 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0164-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0164-0009?
Check Price and Availability of 0164-0009, 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 0164-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0164-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0164-0009
  • 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 0164-0009 available by request