E612-1107 Screening compound: 2-[1-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-3-(methylsulfonyl)propyl]-1-isoindolinone

E612-1107 Screening compound: 2-[1-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-3-(methylsulfonyl)propyl]-1-isoindolinone
E612-1107 Screening compound: 2-[1-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-3-(methylsulfonyl)propyl]-1-isoindolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-1107
2-[1-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-3-(methylsulfonyl)propyl]-1-isoindolinone

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

E612-1107

Molecular Formula

C22H24N2O4S (C22 H24 N2 O4 S)

Compound Name

2-[1-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-3-(methylsulfonyl)propyl]-1-isoindolinone

IUPAC name

n/a

SMILES

CS(CCC(C(N(CC1)Cc2c1cccc2)=O)N(Cc1c2cccc1)C2=O)(=O)=O

InChI

InChI=1S/C22H24N2O4S/c1-29(27,28)13-11-20(24-15-18-8-4-5-9-19(18)21(24)25)22(26)23-12-10-16-6-2-3-7-17(16)14-23/h2-9,20H,10-15H2,1H3/t20-/m0/s1

InChI Key

NMTZPNZVTVSFIV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14903664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.697

Distribution Coefficient, logD

1.697

Water Solubility, LogSw

-2.72

Polar Surface Area

61.570

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

E612-1107 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 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 E612-1107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-1107?
Check Price and Availability of E612-1107, 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 E612-1107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-1107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-1107
  • 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 E612-1107 available by request