D132-0061 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-chlorobenzoate

D132-0061 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-chlorobenzoate
D132-0061 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D132-0061
6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-chlorobenzoate

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

D132-0061

Molecular Formula

C25H17ClO6 (C25 H17 ClO6)

Compound Name

6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-chlorobenzoate

IUPAC name

6-(2H-13-benzodioxol-5-yl)-13-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-chlorobenzoate

SMILES

Cc(oc(C)c1C(OC(c(cccc2)c2Cl)=O)=CC(c(cc2)cc3c2OCO3)=C2)c1C2=O

InChI

InChI=1S/C25H17ClO6/c1-13-23-19(27)9-16(15-7-8-20-21(10-15)30-12-29-20)11-22(24(23)14(2)31-13)32-25(28)17-5-3-4-6-18(17)26/h3-11H,12H2,1-2H3

InChI Key

RPEIVJFFBSGXRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.525

Distribution Coefficient, logD

5.525

Water Solubility, LogSw

-5.95

Polar Surface Area

58.630

Acid Dissociation Constant (pKa)

31.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D132-0061 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D132-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D132-0061?
Check Price and Availability of D132-0061, 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 D132-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D132-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D132-0061
  • 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 D132-0061 available by request