8015-2223 Screening compound: methyl 4-{3-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-1-benzofuran-2-yl}-4-oxobutanoate

8015-2223 Screening compound: methyl 4-{3-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-1-benzofuran-2-yl}-4-oxobutanoate
8015-2223 Screening compound: methyl 4-{3-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-1-benzofuran-2-yl}-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2223
methyl 4-{3-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-1-benzofuran-2-yl}-4-oxobutanoate

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

8015-2223

Molecular Formula

C25H22N2O7 (C25 H22 N2 O7)

Compound Name

methyl 4-{3-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-1-benzofuran-2-yl}-4-oxobutanoate

IUPAC name

methyl 4-{3-[4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)butanamido]-1-benzofuran-2-yl}-4-oxobutanoate

SMILES

COC(CCC(c(oc1c2cccc1)c2NC(CCCN(C(c1c2cccc1)=O)C2=O)=O)=O)=O

InChI

InChI=1S/C25H22N2O7/c1-33-21(30)13-12-18(28)23-22(17-9-4-5-10-19(17)34-23)26-20(29)11-6-14-27-24(31)15-7-2-3-8-16(15)25(27)32/h2-5,7-10H,6,11-14H2,1H3,(H,26,29)

InChI Key

HKEBWEDGVIFWSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03856097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.217

Distribution Coefficient, logD

2.118

Water Solubility, LogSw

-3.07

Polar Surface Area

93.575

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

8015-2223 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8015-2223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2223?
Check Price and Availability of 8015-2223, 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 8015-2223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2223
  • 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 8015-2223 available by request