E612-1172 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

E612-1172 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide
E612-1172 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-1172
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

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

E612-1172

Molecular Formula

C21H28N2O4S (C21 H28 N2 O4 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-methanesulfonyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)butanamide

SMILES

CS(CCC(C(NCCC1=CCCCC1)=O)N(Cc1c2cccc1)C2=O)(=O)=O

InChI

InChI=1S/C21H28N2O4S/c1-28(26,27)14-12-19(20(24)22-13-11-16-7-3-2-4-8-16)23-15-17-9-5-6-10-18(17)21(23)25/h5-7,9-10,19H,2-4,8,11-15H2,1H3,(H,22,24)/t19-/m0/s1

InChI Key

XWEICKVZWGABTR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14903699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.622

Distribution Coefficient, logD

1.622

Water Solubility, LogSw

-2.63

Polar Surface Area

69.707

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

E612-1172 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E612-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-1172?
Check Price and Availability of E612-1172, 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 E612-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-1172
  • 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 E612-1172 available by request