E612-1137 Screening compound: 2-[4-methanesulfonyl-1-oxo-1-(4-propylpiperazin-1-yl)butan-2-yl]-2,3-dihydro-1H-isoindol-1-one

E612-1137 Screening compound: 2-[4-methanesulfonyl-1-oxo-1-(4-propylpiperazin-1-yl)butan-2-yl]-2,3-dihydro-1H-isoindol-1-one
E612-1137 Screening compound: 2-[4-methanesulfonyl-1-oxo-1-(4-propylpiperazin-1-yl)butan-2-yl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-1137
2-[4-methanesulfonyl-1-oxo-1-(4-propylpiperazin-1-yl)butan-2-yl]-2,3-dihydro-1H-isoindol-1-one

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

E612-1137

Molecular Formula

C20H29N3O4S (C20 H29 N3 O4 S)

Compound Name

2-[4-methanesulfonyl-1-oxo-1-(4-propylpiperazin-1-yl)butan-2-yl]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-[4-methanesulfonyl-1-oxo-1-(4-propylpiperazin-1-yl)butan-2-yl]-23-dihydro-1H-isoindol-1-one

SMILES

CCCN(CC1)CCN1C(C(CCS(C)(=O)=O)N(Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C20H29N3O4S/c1-3-9-21-10-12-22(13-11-21)20(25)18(8-14-28(2,26)27)23-15-16-6-4-5-7-17(16)19(23)24/h4-7,18H,3,8-15H2,1-2H3/t18-/m0/s1

InChI Key

SHWMMZLQDLFSKZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14903681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.446

Distribution Coefficient, logD

0.181

Water Solubility, LogSw

-2.42

Polar Surface Area

65.699

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

7.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

E612-1137 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E612-1137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-1137?
Check Price and Availability of E612-1137, 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 E612-1137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-1137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-1137
  • 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 E612-1137 available by request