E456-1395 Screening compound: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)-1,2-dihydroisoquinolin-1-one

E456-1395 Screening compound: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)-1,2-dihydroisoquinolin-1-one
E456-1395 Screening compound: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-1395
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)-1,2-dihydroisoquinolin-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

E456-1395

Molecular Formula

C27H24FN3O3 (C27 H24 FN3 O3)

Compound Name

4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)-1,2-dihydroisoquinolin-1-one

IUPAC name

4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)-12-dihydroisoquinolin-1-one

SMILES

COc(cc1)ccc1N(C=C(C(N(CC1)CCN1c(cccc1)c1F)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C27H24FN3O3/c1-34-20-12-10-19(11-13-20)31-18-23(21-6-2-3-7-22(21)27(31)33)26(32)30-16-14-29(15-17-30)25-9-5-4-8-24(25)28/h2-13,18H,14-17H2,1H3

InChI Key

CLSKVBGRDBUVAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03020518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

3.549

Water Solubility, LogSw

-3.84

Polar Surface Area

42.906

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with E456-1395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-1395?
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What is the minimum amount of E456-1395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-1395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-1395
  • 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 E456-1395 available by request