D313-0124 Screening compound: methyl 2-(4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}phenoxy)acetate

D313-0124 Screening compound: methyl 2-(4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}phenoxy)acetate
D313-0124 Screening compound: methyl 2-(4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}phenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D313-0124
methyl 2-(4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}phenoxy)acetate

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

D313-0124

Molecular Formula

C22H22O6 (C22 H22 O6)

Compound Name

methyl 2-(4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}phenoxy)acetate

IUPAC name

methyl 2-(4-{8-ethoxy-13-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}phenoxy)acetate

SMILES

CCOC(c1c(C)oc(C)c11)=CC(c(cc2)ccc2OCC(OC)=O)=CC1=O

InChI

InChI=1S/C22H22O6/c1-5-26-19-11-16(10-18(23)21-13(2)28-14(3)22(19)21)15-6-8-17(9-7-15)27-12-20(24)25-4/h6-11H,5,12H2,1-4H3

InChI Key

LTDKVNOOAYAADF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.41

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

3.455

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.61

Polar Surface Area

56.339

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D313-0124 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D313-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D313-0124?
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What is the minimum amount of D313-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D313-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D313-0124
  • 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 D313-0124 available by request