5436-0820 Screening compound: 10-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-5H-benzo[c]furo[3,2-g]chromen-5-one

5436-0820 Screening compound: 10-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-5H-benzo[c]furo[3,2-g]chromen-5-one
5436-0820 Screening compound: 10-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-5H-benzo[c]furo[3,2-g]chromen-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5436-0820
10-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-5H-benzo[c]furo[3,2-g]chromen-5-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

5436-0820

Molecular Formula

C22H16O5 (C22 H16 O5)

Compound Name

10-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-5H-benzo[c]furo[3,2-g]chromen-5-one

IUPAC name

15-(2H-13-benzodioxol-5-yl)-913-dioxatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(17)2(7)1012(16)14-pentaen-8-one

SMILES

O=C1Oc(cc(c2c3)occ2-c(cc2)cc4c2OCO4)c3C2=C1CCCC2

InChI

InChI=1S/C22H16O5/c23-22-14-4-2-1-3-13(14)15-8-16-17(10-24-19(16)9-20(15)27-22)12-5-6-18-21(7-12)26-11-25-18/h5-10H,1-4,11H2

InChI Key

NJXPFMUHVVCBSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02058908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

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

5.173

Distribution Coefficient, logD

5.173

Water Solubility, LogSw

-5.53

Polar Surface Area

47.484

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

5436-0820 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5436-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5436-0820?
Check Price and Availability of 5436-0820, 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 5436-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5436-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5436-0820
  • 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 5436-0820 available by request