Y040-4272 Screening compound: 9-(4-fluorophenyl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromene-4(1H)-thione

Y040-4272 Screening compound: 9-(4-fluorophenyl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromene-4(1H)-thione
Y040-4272 Screening compound: 9-(4-fluorophenyl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromene-4(1H)-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4272
9-(4-fluorophenyl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromene-4(1H)-thione

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

Y040-4272

Molecular Formula

C20H13FO2S (C20 H13 FO2 S)

Compound Name

9-(4-fluorophenyl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromene-4(1H)-thione

IUPAC name

14-(4-fluorophenyl)-812-dioxatetracyclo[7.7.0.0^{26}.0^{1115}]hexadeca-1(16)2(6)911(15)13-pentaene-7-thione

SMILES

Fc(cc1)ccc1-c(c1c2)coc1cc(O1)c2C(CCC2)=C2C1=S

InChI

InChI=1S/C20H13FO2S/c21-12-6-4-11(5-7-12)17-10-22-18-9-19-15(8-16(17)18)13-2-1-3-14(13)20(24)23-19/h4-10H,1-3H2

InChI Key

ISKHLTYMPBZLJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09858145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.245

Distribution Coefficient, logD

5.245

Water Solubility, LogSw

-5.66

Polar Surface Area

17.623

Acid Dissociation Constant (pKa)

23.77

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

Y040-4272 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-4272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4272?
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What is the minimum amount of Y040-4272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4272
  • 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 Y040-4272 available by request