D132-0068 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate

D132-0068 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate
D132-0068 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D132-0068
6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate

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

D132-0068

Molecular Formula

C26H20O6 (C26 H20 O6)

Compound Name

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

IUPAC name

6-(2H-13-benzodioxol-5-yl)-13-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate

SMILES

Cc(oc(C)c1C(OC(c2cc(C)ccc2)=O)=CC(c(cc2)cc3c2OCO3)=C2)c1C2=O

InChI

InChI=1S/C26H20O6/c1-14-5-4-6-18(9-14)26(28)32-23-12-19(17-7-8-21-22(11-17)30-13-29-21)10-20(27)24-15(2)31-16(3)25(23)24/h4-12H,13H2,1-3H3

InChI Key

PHVGVWDRIYUBRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.44

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

5.042

Distribution Coefficient, logD

5.042

Water Solubility, LogSw

-4.94

Polar Surface Area

58.630

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D132-0068 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D132-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D132-0068?
Check Price and Availability of D132-0068, 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 D132-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D132-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D132-0068
  • 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 D132-0068 available by request