E456-0333 Screening compound: methyl 4-[2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-amido]benzoate

E456-0333 Screening compound: methyl 4-[2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-amido]benzoate
E456-0333 Screening compound: methyl 4-[2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-0333
methyl 4-[2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-amido]benzoate

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

E456-0333

Molecular Formula

C23H20N2O4S (C23 H20 N2 O4 S)

Compound Name

methyl 4-[2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-amido]benzoate

IUPAC name

methyl 4-[2-methyl-1-oxo-3-(thiophen-2-yl)-1234-tetrahydroisoquinoline-4-amido]benzoate

SMILES

CN(C(C(C(Nc(cc1)ccc1C(OC)=O)=O)c1c2cccc1)c1cccs1)C2=O

InChI

InChI=1S/C23H20N2O4S/c1-25-20(18-8-5-13-30-18)19(16-6-3-4-7-17(16)22(25)27)21(26)24-15-11-9-14(10-12-15)23(28)29-2/h3-13,19-20H,1-2H3,(H,24,26)

InChI Key

OKCFLICDEQNFLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14853332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.347

Water Solubility, LogSw

-3.85

Polar Surface Area

60.972

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

E456-0333 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E456-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-0333?
Check Price and Availability of E456-0333, 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 E456-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-0333
  • 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 E456-0333 available by request