D313-0004 Screening compound: 4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}-2-methoxyphenyl 4-methylbenzoate

D313-0004 Screening compound: 4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}-2-methoxyphenyl 4-methylbenzoate
D313-0004 Screening compound: 4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}-2-methoxyphenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D313-0004
4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}-2-methoxyphenyl 4-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

D313-0004

Molecular Formula

C28H26O6 (C28 H26 O6)

Compound Name

4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}-2-methoxyphenyl 4-methylbenzoate

IUPAC name

4-{8-ethoxy-13-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}-2-methoxyphenyl 4-methylbenzoate

SMILES

CCOC(c1c(C)oc(C)c11)=CC(c(cc2)cc(OC)c2OC(c2ccc(C)cc2)=O)=CC1=O

InChI

InChI=1S/C28H26O6/c1-6-32-25-15-21(13-22(29)26-17(3)33-18(4)27(25)26)20-11-12-23(24(14-20)31-5)34-28(30)19-9-7-16(2)8-10-19/h7-15H,6H2,1-5H3

InChI Key

ZKFQXOZSQLHZMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.725

Distribution Coefficient, logD

5.725

Water Solubility, LogSw

-5.57

Polar Surface Area

56.355

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

D313-0004 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D313-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D313-0004?
Check Price and Availability of D313-0004, 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 D313-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D313-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D313-0004
  • 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 D313-0004 available by request