E456-1055 Screening compound: 2-cyclopentyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one

E456-1055 Screening compound: 2-cyclopentyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one
E456-1055 Screening compound: 2-cyclopentyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-1055
2-cyclopentyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one

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

E456-1055

Molecular Formula

C29H30FN3O2S (C29 H30 FN3 O2 S)

Compound Name

2-cyclopentyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one

IUPAC name

2-cyclopentyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-1234-tetrahydroisoquinolin-1-one

SMILES

O=C(C(C(c1cccs1)N1C2CCCC2)c(cccc2)c2C1=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C29H30FN3O2S/c30-23-12-5-6-13-24(23)31-15-17-32(18-16-31)29(35)26-21-10-3-4-11-22(21)28(34)33(20-8-1-2-9-20)27(26)25-14-7-19-36-25/h3-7,10-14,19-20,26-27H,1-2,8-9,15-18H2

InChI Key

YWBALWNGPBVYLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14853713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.835

Distribution Coefficient, logD

4.835

Water Solubility, LogSw

-4.85

Polar Surface Area

35.865

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

E456-1055 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 E456-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-1055?
Check Price and Availability of E456-1055, 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 E456-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-1055
  • 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 E456-1055 available by request