8012-7400 Screening compound: ethyl 3-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(4-methylphenyl)propanoate

8012-7400 Screening compound: ethyl 3-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(4-methylphenyl)propanoate
8012-7400 Screening compound: ethyl 3-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(4-methylphenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7400
ethyl 3-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(4-methylphenyl)propanoate

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

8012-7400

Molecular Formula

C26H30N2O5 (C26 H30 N2 O5)

Compound Name

ethyl 3-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-3-(4-methylphenyl)propanoate

IUPAC name

ethyl 3-[6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanamido]-3-(4-methylphenyl)propanoate

SMILES

CCOC(CC(c1ccc(C)cc1)NC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C26H30N2O5/c1-3-33-24(30)17-22(19-14-12-18(2)13-15-19)27-23(29)11-5-4-8-16-28-25(31)20-9-6-7-10-21(20)26(28)32/h6-7,9-10,12-15,22H,3-5,8,11,16-17H2,1-2H3,(H,27,29)/t22-/m0/s1

InChI Key

KSKFCDWMPQAYOA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03308586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.53

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

3.810

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-3.76

Polar Surface Area

73.730

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8012-7400 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 8012-7400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7400?
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What is the minimum amount of 8012-7400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7400
  • 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 8012-7400 available by request