E456-0940 Screening compound: methyl 2-{[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-4-yl]formamido}-4-(methylsulfanyl)butanoate

E456-0940 Screening compound: methyl 2-{[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-4-yl]formamido}-4-(methylsulfanyl)butanoate
E456-0940 Screening compound: methyl 2-{[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-4-yl]formamido}-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-0940
methyl 2-{[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-4-yl]formamido}-4-(methylsulfanyl)butanoate

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

E456-0940

Molecular Formula

C24H30N2O4S2 (C24 H30 N2 O4 S2)

Compound Name

methyl 2-{[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-4-yl]formamido}-4-(methylsulfanyl)butanoate

IUPAC name

methyl 2-{[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1234-tetrahydroisoquinolin-4-yl]formamido}-4-(methylsulfanyl)butanoate

SMILES

CC(C)CN(C(C(C(NC(CCSC)C(OC)=O)=O)c1c2cccc1)c1cccs1)C2=O

InChI

InChI=1S/C24H30N2O4S2/c1-15(2)14-26-21(19-10-7-12-32-19)20(16-8-5-6-9-17(16)23(26)28)22(27)25-18(11-13-31-4)24(29)30-3/h5-10,12,15,18,20-21H,11,13-14H2,1-4H3,(H,25,27)

InChI Key

JPBOVXBUNXOEDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14853664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.430

Distribution Coefficient, logD

3.430

Water Solubility, LogSw

-3.81

Polar Surface Area

62.430

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

45.80

E456-0940 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E456-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-0940?
Check Price and Availability of E456-0940, 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 E456-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-0940
  • 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 E456-0940 available by request