E456-1339 Screening compound: 2-cyclopentyl-N-[4-(furan-2-yl)butan-2-yl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

E456-1339 Screening compound: 2-cyclopentyl-N-[4-(furan-2-yl)butan-2-yl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
E456-1339 Screening compound: 2-cyclopentyl-N-[4-(furan-2-yl)butan-2-yl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-1339
2-cyclopentyl-N-[4-(furan-2-yl)butan-2-yl]-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

E456-1339

Molecular Formula

C27H30N2O3S (C27 H30 N2 O3 S)

Compound Name

2-cyclopentyl-N-[4-(furan-2-yl)butan-2-yl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

2-cyclopentyl-N-[4-(furan-2-yl)butan-2-yl]-1-oxo-3-(thiophen-2-yl)-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CC(CCc1ccco1)NC(C(C(c1cccs1)N1C2CCCC2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C27H30N2O3S/c1-18(14-15-20-10-6-16-32-20)28-26(30)24-21-11-4-5-12-22(21)27(31)29(19-8-2-3-9-19)25(24)23-13-7-17-33-23/h4-7,10-13,16-19,24-25H,2-3,8-9,14-15H2,1H3,(H,28,30)

InChI Key

DFVHTQMMUQLZSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14853807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.043

Distribution Coefficient, logD

5.043

Water Solubility, LogSw

-4.53

Polar Surface Area

47.861

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.74

E456-1339 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E456-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-1339?
Check Price and Availability of E456-1339, 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 E456-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-1339
  • 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 E456-1339 available by request