E612-1084 Screening compound: ethyl 2-[4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]acetate

E612-1084 Screening compound: ethyl 2-[4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]acetate
E612-1084 Screening compound: ethyl 2-[4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-1084
ethyl 2-[4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]acetate

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

E612-1084

Molecular Formula

C17H22N2O6S (C17 H22 N2 O6 S)

Compound Name

ethyl 2-[4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]acetate

IUPAC name

ethyl 2-[4-methanesulfonyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)butanamido]acetate

SMILES

CCOC(CNC(C(CCS(C)(=O)=O)N(Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C17H22N2O6S/c1-3-25-15(20)10-18-16(21)14(8-9-26(2,23)24)19-11-12-6-4-5-7-13(12)17(19)22/h4-7,14H,3,8-11H2,1-2H3,(H,18,21)/t14-/m0/s1

InChI Key

QRMUEWBSVNZSCV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14903651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.101

Distribution Coefficient, logD

-0.101

Water Solubility, LogSw

-2.45

Polar Surface Area

90.104

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

E612-1084 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E612-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-1084?
Check Price and Availability of E612-1084, 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 E612-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-1084
  • 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 E612-1084 available by request