Y040-0774 Screening compound: 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-3-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

Y040-0774 Screening compound: 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-3-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one
Y040-0774 Screening compound: 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-3-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0774
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-3-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-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

Y040-0774

Molecular Formula

C23H21FO5 (C23 H21 FO5)

Compound Name

1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-3-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

IUPAC name

1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-3-methyl-6H7H8H9H10H-cyclohexa[c]chromen-6-one

SMILES

Cc1cc(OCC(c(cc2)cc(F)c2OC)=O)c(C(CCCC2)=C2C(O2)=O)c2c1

InChI

InChI=1S/C23H21FO5/c1-13-9-20(28-12-18(25)14-7-8-19(27-2)17(24)11-14)22-15-5-3-4-6-16(15)23(26)29-21(22)10-13/h7-11H,3-6,12H2,1-2H3

InChI Key

CLXBLLLGGCAWLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01942298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.42

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

5.133

Distribution Coefficient, logD

5.133

Water Solubility, LogSw

-5.19

Polar Surface Area

49.272

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

Y040-0774 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 Y040-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0774?
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What is the minimum amount of Y040-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0774
  • 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 Y040-0774 available by request