8012-9028 Screening compound: ethyl 2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-phenylpropanoate

8012-9028 Screening compound: ethyl 2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-phenylpropanoate
8012-9028 Screening compound: ethyl 2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9028
ethyl 2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-phenylpropanoate

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

8012-9028

Molecular Formula

C25H28N2O5 (C25 H28 N2 O5)

Compound Name

ethyl 2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-phenylpropanoate

IUPAC name

ethyl (2S)-2-[6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanamido]-3-phenylpropanoate

SMILES

CCOC(C(Cc1ccccc1)NC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C25H28N2O5/c1-2-32-25(31)21(17-18-11-5-3-6-12-18)26-22(28)15-7-4-10-16-27-23(29)19-13-8-9-14-20(19)24(27)30/h3,5-6,8-9,11-14,21H,2,4,7,10,15-17H2,1H3,(H,26,28)/t21-/m0/s1

InChI Key

ZLHIGOSGHWFMJF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03133454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.109

Distribution Coefficient, logD

3.109

Water Solubility, LogSw

-3.41

Polar Surface Area

74.325

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

8012-9028 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-9028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9028?
Check Price and Availability of 8012-9028, 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 8012-9028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9028
  • 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 8012-9028 available by request