E456-0961 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

E456-0961 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
E456-0961 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-0961
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

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

E456-0961

Molecular Formula

C28H39N3O2S (C28 H39 N3 O2 S)

Compound Name

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-[3-(26-dimethylpiperidin-1-yl)propyl]-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CC(C)CN(C(C(C(NCCCN1C(C)CCCC1C)=O)c1c2cccc1)c1cccs1)C2=O

InChI

InChI=1S/C28H39N3O2S/c1-19(2)18-31-26(24-14-8-17-34-24)25(22-12-5-6-13-23(22)28(31)33)27(32)29-15-9-16-30-20(3)10-7-11-21(30)4/h5-6,8,12-14,17,19-21,25-26H,7,9-11,15-16,18H2,1-4H3,(H,29,32)

InChI Key

VNPJLIZEBJPZKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14853673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.397

Distribution Coefficient, logD

1.238

Water Solubility, LogSw

-4.12

Polar Surface Area

43.734

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

10.56

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

57.10

E456-0961 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 E456-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-0961?
Check Price and Availability of E456-0961, 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 E456-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-0961
  • 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 E456-0961 available by request