Y502-7109 Screening compound: (E)-3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-methyl-1H-pyrazol-4-yl)-2-propen-1-one

Y502-7109 Screening compound: (E)-3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-methyl-1H-pyrazol-4-yl)-2-propen-1-one
Y502-7109 Screening compound: (E)-3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-methyl-1H-pyrazol-4-yl)-2-propen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-7109
(E)-3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-methyl-1H-pyrazol-4-yl)-2-propen-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

Y502-7109

Molecular Formula

C21H19FN2O3 (C21 H19 FN2 O3)

Compound Name

(E)-3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-methyl-1H-pyrazol-4-yl)-2-propen-1-one

IUPAC name

(2E)-3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one

SMILES

Cn1ncc(C(/C=C/c(cc2)cc(COc(cc3)ccc3F)c2OC)=O)c1

InChI

InChI=1S/C21H19FN2O3/c1-24-13-17(12-23-24)20(25)9-3-15-4-10-21(26-2)16(11-15)14-27-19-7-5-18(22)6-8-19/h3-13H,14H2,1-2H3

InChI Key

VIKSIAGWQYXUOZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.484

Water Solubility, LogSw

-3.52

Polar Surface Area

42.881

Acid Dissociation Constant (pKa)

29.01

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

Y502-7109 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y502-7109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-7109?
Check Price and Availability of Y502-7109, 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 Y502-7109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-7109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-7109
  • 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 Y502-7109 available by request