M575-0331 Screening compound: 3-oxo-2-propyl-N-{[2-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

M575-0331 Screening compound: 3-oxo-2-propyl-N-{[2-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
M575-0331 Screening compound: 3-oxo-2-propyl-N-{[2-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M575-0331
3-oxo-2-propyl-N-{[2-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline-1-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

M575-0331

Molecular Formula

C21H21F3N2O2 (C21 H21 F3 N2 O2)

Compound Name

3-oxo-2-propyl-N-{[2-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

IUPAC name

3-oxo-2-propyl-N-{[2-(trifluoromethyl)phenyl]methyl}-1234-tetrahydroisoquinoline-1-carboxamide

SMILES

CCCN(C(C(NCc1c(C(F)(F)F)cccc1)=O)c1c(C2)cccc1)C2=O

InChI

InChI=1S/C21H21F3N2O2/c1-2-11-26-18(27)12-14-7-3-5-9-16(14)19(26)20(28)25-13-15-8-4-6-10-17(15)21(22,23)24/h3-10,19H,2,11-13H2,1H3,(H,25,28)/t19-/m1/s1

InChI Key

ZQKPNCKKILNVLU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27548065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.958

Distribution Coefficient, logD

3.958

Water Solubility, LogSw

-4.01

Polar Surface Area

40.864

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

M575-0331 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M575-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M575-0331?
Check Price and Availability of M575-0331, 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 M575-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M575-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M575-0331
  • 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 M575-0331 available by request