5701-0554 Screening compound: (2E)-1-cyclopropyl-3-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}prop-2-en-1-one

5701-0554 Screening compound: (2E)-1-cyclopropyl-3-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}prop-2-en-1-one
5701-0554 Screening compound: (2E)-1-cyclopropyl-3-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5701-0554
(2E)-1-cyclopropyl-3-{3-[(2,6-dimethylphenoxy)methyl]-4-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

5701-0554

Molecular Formula

C22H24O3 (C22 H24 O3)

Compound Name

(2E)-1-cyclopropyl-3-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}prop-2-en-1-one

IUPAC name

(2E)-1-cyclopropyl-3-{3-[(26-dimethylphenoxy)methyl]-4-methoxyphenyl}prop-2-en-1-one

SMILES

Cc1cccc(C)c1OCc(cc(/C=C/C(C1CC1)=O)cc1)c1OC

InChI

InChI=1S/C22H24O3/c1-15-5-4-6-16(2)22(15)25-14-19-13-17(8-12-21(19)24-3)7-11-20(23)18-9-10-18/h4-8,11-13,18H,9-10,14H2,1-3H3

InChI Key

FWHFFPAQCAIXPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.379

Distribution Coefficient, logD

5.379

Water Solubility, LogSw

-5.55

Polar Surface Area

28.768

Acid Dissociation Constant (pKa)

22.61

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

5701-0554 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 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

References: we are preparing a list of scientific research reports with 5701-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5701-0554?
Check Price and Availability of 5701-0554, 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 5701-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5701-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5701-0554
  • 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 5701-0554 available by request