5436-0828 Screening compound: 3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-2-one

5436-0828 Screening compound: 3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-2-one
5436-0828 Screening compound: 3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5436-0828
3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-2-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

5436-0828

Molecular Formula

C18H18O3 (C18 H18 O3)

Compound Name

3,4,11-trimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-2-one

IUPAC name

267-trimethyl-417-dioxatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)26811(16)-pentaen-5-one

SMILES

Cc1c2oc(CCCC3)c3c2cc(C(C)=C2C)c1OC2=O

InChI

InChI=1S/C18H18O3/c1-9-10(2)18(19)21-16-11(3)17-14(8-13(9)16)12-6-4-5-7-15(12)20-17/h8H,4-7H2,1-3H3

InChI Key

YVOWKUKCANOWJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02057955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.408

Distribution Coefficient, logD

4.408

Water Solubility, LogSw

-4.39

Polar Surface Area

29.193

Acid Dissociation Constant (pKa)

25.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

5436-0828 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5436-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5436-0828?
Check Price and Availability of 5436-0828, 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 5436-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5436-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5436-0828
  • 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 5436-0828 available by request