D313-0109 Screening compound: 4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}phenyl 4-methoxybenzoate

D313-0109 Screening compound: 4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}phenyl 4-methoxybenzoate
D313-0109 Screening compound: 4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}phenyl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D313-0109
4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}phenyl 4-methoxybenzoate

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

D313-0109

Molecular Formula

C27H24O6 (C27 H24 O6)

Compound Name

4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}phenyl 4-methoxybenzoate

IUPAC name

4-{8-ethoxy-13-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}phenyl 4-methoxybenzoate

SMILES

CCOC(c1c(C)oc(C)c11)=CC(c(cc2)ccc2OC(c(cc2)ccc2OC)=O)=CC1=O

InChI

InChI=1S/C27H24O6/c1-5-31-24-15-20(14-23(28)25-16(2)32-17(3)26(24)25)18-6-12-22(13-7-18)33-27(29)19-8-10-21(30-4)11-9-19/h6-15H,5H2,1-4H3

InChI Key

UIULURRQQJQUOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.48

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

5.287

Distribution Coefficient, logD

5.287

Water Solubility, LogSw

-5.52

Polar Surface Area

56.182

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

D313-0109 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D313-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D313-0109?
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What is the minimum amount of D313-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D313-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D313-0109
  • 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 D313-0109 available by request