E612-1572 Screening compound: methyl 3-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]thiophene-2-carboxylate

E612-1572 Screening compound: methyl 3-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]thiophene-2-carboxylate
E612-1572 Screening compound: methyl 3-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-1572
methyl 3-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]thiophene-2-carboxylate

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

E612-1572

Molecular Formula

C16H14N2O4S (C16 H14 N2 O4 S)

Compound Name

methyl 3-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]thiophene-2-carboxylate

IUPAC name

methyl 3-[2-(1-oxo-23-dihydro-1H-isoindol-2-yl)acetamido]thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(CN(Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C16H14N2O4S/c1-22-16(21)14-12(6-7-23-14)17-13(19)9-18-8-10-4-2-3-5-11(10)15(18)20/h2-7H,8-9H2,1H3,(H,17,19)

InChI Key

CLJNOCXJJGRHLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14903802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.801

Distribution Coefficient, logD

1.770

Water Solubility, LogSw

-2.78

Polar Surface Area

61.529

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

E612-1572 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E612-1572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-1572?
Check Price and Availability of E612-1572, 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 E612-1572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-1572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-1572
  • 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 E612-1572 available by request