E612-1088 Screening compound: 2-{4-methanesulfonyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-2,3-dihydro-1H-isoindol-1-one

E612-1088 Screening compound: 2-{4-methanesulfonyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-2,3-dihydro-1H-isoindol-1-one
E612-1088 Screening compound: 2-{4-methanesulfonyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-1088
2-{4-methanesulfonyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-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

E612-1088

Molecular Formula

C23H26N4O6S (C23 H26 N4 O6 S)

Compound Name

2-{4-methanesulfonyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-{4-methanesulfonyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-23-dihydro-1H-isoindol-1-one

SMILES

CS(CCC(C(N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)=O)N(Cc1c2cccc1)C2=O)(=O)=O

InChI

InChI=1S/C23H26N4O6S/c1-34(32,33)15-10-21(26-16-17-4-2-3-5-20(17)22(26)28)23(29)25-13-11-24(12-14-25)18-6-8-19(9-7-18)27(30)31/h2-9,21H,10-16H2,1H3/t21-/m0/s1

InChI Key

ZRWJKEOBMQXMHN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14903654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.498

Distribution Coefficient, logD

1.498

Water Solubility, LogSw

-2.51

Polar Surface Area

98.550

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E612-1088 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 E612-1088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-1088?
Check Price and Availability of E612-1088, 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 E612-1088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-1088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-1088
  • 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 E612-1088 available by request