Y040-1224 Screening compound: 7-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

Y040-1224 Screening compound: 7-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
Y040-1224 Screening compound: 7-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1224
7-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-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

Y040-1224

Molecular Formula

C21H17FO5 (C21 H17 FO5)

Compound Name

7-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

IUPAC name

7-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-1H2H3H4H-cyclopenta[c]chromen-4-one

SMILES

COc(ccc(C(COc(cc1)cc(O2)c1C(CCC1)=C1C2=O)=O)c1)c1F

InChI

InChI=1S/C21H17FO5/c1-25-19-8-5-12(9-17(19)22)18(23)11-26-13-6-7-15-14-3-2-4-16(14)21(24)27-20(15)10-13/h5-10H,2-4,11H2,1H3

InChI Key

JQURCAGBFFXNJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.615

Distribution Coefficient, logD

3.615

Water Solubility, LogSw

-3.90

Polar Surface Area

49.552

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

Y040-1224 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with Y040-1224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1224?
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What is the minimum amount of Y040-1224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1224
  • 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 Y040-1224 available by request