E456-0709 Screening compound: ethyl 1-[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]piperidine-4-carboxylate

E456-0709 Screening compound: ethyl 1-[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]piperidine-4-carboxylate
E456-0709 Screening compound: ethyl 1-[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-0709
ethyl 1-[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]piperidine-4-carboxylate

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

E456-0709

Molecular Formula

C26H32N2O4S (C26 H32 N2 O4 S)

Compound Name

ethyl 1-[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1234-tetrahydroisoquinoline-4-carbonyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(C(C(c1cccs1)N1CC(C)C)c(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C26H32N2O4S/c1-4-32-26(31)18-11-13-27(14-12-18)25(30)22-19-8-5-6-9-20(19)24(29)28(16-17(2)3)23(22)21-10-7-15-33-21/h5-10,15,17-18,22-23H,4,11-14,16H2,1-3H3

InChI Key

NFDQITNRXSRHNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14853509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.06

Polar Surface Area

54.343

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

E456-0709 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 E456-0709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-0709?
Check Price and Availability of E456-0709, 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 E456-0709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-0709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-0709
  • 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 E456-0709 available by request