E612-2355 Screening compound: ethyl 4-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamido]benzoate

E612-2355 Screening compound: ethyl 4-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamido]benzoate
E612-2355 Screening compound: ethyl 4-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-2355
ethyl 4-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamido]benzoate

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

E612-2355

Molecular Formula

C22H24N2O4 (C22 H24 N2 O4)

Compound Name

ethyl 4-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamido]benzoate

IUPAC name

ethyl 4-[2-(1-oxo-23-dihydro-1H-isoindol-2-yl)pentanamido]benzoate

SMILES

CCCC(C(Nc(cc1)ccc1C(OCC)=O)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C22H24N2O4/c1-3-7-19(24-14-16-8-5-6-9-18(16)21(24)26)20(25)23-17-12-10-15(11-13-17)22(27)28-4-2/h5-6,8-13,19H,3-4,7,14H2,1-2H3,(H,23,25)/t19-/m0/s1

InChI Key

VPLSCHTYXSOQOZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14903961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.176

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-4.10

Polar Surface Area

60.092

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

E612-2355 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E612-2355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-2355?
Check Price and Availability of E612-2355, 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 E612-2355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-2355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-2355
  • 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 E612-2355 available by request