D313-0007 Screening compound: 4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}-2-methoxyphenyl 2-fluorobenzoate

D313-0007 Screening compound: 4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}-2-methoxyphenyl 2-fluorobenzoate
D313-0007 Screening compound: 4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}-2-methoxyphenyl 2-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D313-0007
4-{8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl}-2-methoxyphenyl 2-fluorobenzoate

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

D313-0007

Molecular Formula

C27H23FO6 (C27 H23 FO6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)oc(C)c11)=CC(c(cc2)cc(OC)c2OC(c(cccc2)c2F)=O)=CC1=O

InChI

InChI=1S/C27H23FO6/c1-5-32-24-14-18(12-21(29)25-15(2)33-16(3)26(24)25)17-10-11-22(23(13-17)31-4)34-27(30)19-8-6-7-9-20(19)28/h6-14H,5H2,1-4H3

InChI Key

GUGQNHMGKQKWFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.47

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

5.455

Distribution Coefficient, logD

5.455

Water Solubility, LogSw

-5.56

Polar Surface Area

56.355

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

D313-0007 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Human Proteases Annotated Library (2868 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D313-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D313-0007?
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What is the minimum amount of D313-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D313-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D313-0007
  • 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 D313-0007 available by request