4065-0506 Screening compound: 6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl furan-2-carboxylate

4065-0506 Screening compound: 6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl furan-2-carboxylate
4065-0506 Screening compound: 6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4065-0506
6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl furan-2-carboxylate

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

4065-0506

Molecular Formula

C18H14O5 (C18 H14 O5)

Compound Name

6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl furan-2-carboxylate

IUPAC name

6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl furan-2-carboxylate

SMILES

O=C(c1ccco1)Oc(cc1)cc(O2)c1C(CCCC1)=C1C2=O

InChI

InChI=1S/C18H14O5/c19-17-14-5-2-1-4-12(14)13-8-7-11(10-16(13)23-17)22-18(20)15-6-3-9-21-15/h3,6-10H,1-2,4-5H2

InChI Key

QBCYPAZXIYXZHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02294039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.375

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-3.70

Polar Surface Area

50.037

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4065-0506 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4065-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4065-0506?
Check Price and Availability of 4065-0506, 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 4065-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4065-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4065-0506
  • 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 4065-0506 available by request