3281-0056 Screening compound: diethyl 2-{5-[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl]-3,7-dioxo-5,7-dihydro-1H,3H-furo[3,4-f]isobenzofuran-1-yl}malonate

3281-0056 Screening compound: diethyl 2-{5-[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl]-3,7-dioxo-5,7-dihydro-1H,3H-furo[3,4-f]isobenzofuran-1-yl}malonate
3281-0056 Screening compound: diethyl 2-{5-[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl]-3,7-dioxo-5,7-dihydro-1H,3H-furo[3,4-f]isobenzofuran-1-yl}malonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3281-0056
diethyl 2-{5-[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl]-3,7-dioxo-5,7-dihydro-1H,3H-furo[3,4-f]isobenzofuran-1-yl}malonate

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

3281-0056

Molecular Formula

C24H26O12 (C24 H26 O12)

Compound Name

diethyl 2-{5-[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl]-3,7-dioxo-5,7-dihydro-1H,3H-furo[3,4-f]isobenzofuran-1-yl}malonate

IUPAC name

13-diethyl 2-[10-(13-diethoxy-13-dioxopropan-2-yl)-612-dioxo-511-dioxatricyclo[7.3.0.0^{37}]dodeca-13(7)8-trien-4-yl]propanedioate

SMILES

CCOC(C(C(c1cc(C(OC2C(C(OCC)=O)C(OCC)=O)=O)c2cc11)OC1=O)C(OCC)=O)=O

InChI

InChI=1S/C24H26O12/c1-5-31-21(27)15(22(28)32-6-2)17-11-9-14-12(10-13(11)19(25)35-17)18(36-20(14)26)16(23(29)33-7-3)24(30)34-8-4/h9-10,15-18H,5-8H2,1-4H3

InChI Key

PBYZHCQDCGKBJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01542310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.46

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.880

Distribution Coefficient, logD

1.880

Water Solubility, LogSw

-2.12

Polar Surface Area

126.865

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

3281-0056 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3281-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3281-0056?
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What is the minimum amount of 3281-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3281-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3281-0056
  • 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 3281-0056 available by request