Y040-0202 Screening compound: 9-(1,3-benzodioxol-5-yl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1H)-one

Y040-0202 Screening compound: 9-(1,3-benzodioxol-5-yl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1H)-one
Y040-0202 Screening compound: 9-(1,3-benzodioxol-5-yl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0202
9-(1,3-benzodioxol-5-yl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1H)-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

Y040-0202

Molecular Formula

C21H14O5 (C21 H14 O5)

Compound Name

9-(1,3-benzodioxol-5-yl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1H)-one

IUPAC name

14-(2H-13-benzodioxol-5-yl)-812-dioxatetracyclo[7.7.0.0^{26}.0^{1115}]hexadeca-1(16)2(6)911(15)13-pentaen-7-one

SMILES

O=C1Oc(cc(c2c3)occ2-c(cc2)cc4c2OCO4)c3C2=C1CCC2

InChI

InChI=1S/C21H14O5/c22-21-13-3-1-2-12(13)14-7-15-16(9-23-18(15)8-19(14)26-21)11-4-5-17-20(6-11)25-10-24-17/h4-9H,1-3,10H2

InChI Key

HJOFPQFQONWRFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02056935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.375

Distribution Coefficient, logD

4.375

Water Solubility, LogSw

-4.47

Polar Surface Area

47.850

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

Y040-0202 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0202?
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What is the minimum amount of Y040-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0202
  • 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 Y040-0202 available by request