M575-0758 Screening compound: 1-{[4-(2-fluorophenyl)piperazino]carbonyl}-2-methyl-1,4-dihydro-3(2H)-isoquinolinone

M575-0758 Screening compound: 1-{[4-(2-fluorophenyl)piperazino]carbonyl}-2-methyl-1,4-dihydro-3(2H)-isoquinolinone
M575-0758 Screening compound: 1-{[4-(2-fluorophenyl)piperazino]carbonyl}-2-methyl-1,4-dihydro-3(2H)-isoquinolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound M575-0758
1-{[4-(2-fluorophenyl)piperazino]carbonyl}-2-methyl-1,4-dihydro-3(2H)-isoquinolinone

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

M575-0758

Molecular Formula

C21H22FN3O2 (C21 H22 FN3 O2)

Compound Name

1-{[4-(2-fluorophenyl)piperazino]carbonyl}-2-methyl-1,4-dihydro-3(2H)-isoquinolinone

IUPAC name

1-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-1234-tetrahydroisoquinolin-3-one

SMILES

CN(C(C(N(CC1)CCN1c(cccc1)c1F)=O)c1c(C2)cccc1)C2=O

InChI

InChI=1S/C21H22FN3O2/c1-23-19(26)14-15-6-2-3-7-16(15)20(23)21(27)25-12-10-24(11-13-25)18-9-5-4-8-17(18)22/h2-9,20H,10-14H2,1H3/t20-/m1/s1

InChI Key

OCYJWJBPZDZGOG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27548150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.451

Distribution Coefficient, logD

2.451

Water Solubility, LogSw

-2.58

Polar Surface Area

35.845

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

M575-0758 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M575-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M575-0758?
Check Price and Availability of M575-0758, 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 M575-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M575-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M575-0758
  • 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 M575-0758 available by request