M575-0414 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2-propyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

M575-0414 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2-propyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
M575-0414 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2-propyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M575-0414
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2-propyl-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

M575-0414

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2-propyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-oxo-2-propyl-1234-tetrahydroisoquinoline-1-carboxamide

SMILES

CCCN(C(C(NCc(cc1)cc2c1OCO2)=O)c1c(C2)cccc1)C2=O

InChI

InChI=1S/C21H22N2O4/c1-2-9-23-19(24)11-15-5-3-4-6-16(15)20(23)21(25)22-12-14-7-8-17-18(10-14)27-13-26-17/h3-8,10,20H,2,9,11-13H2,1H3,(H,22,25)/t20-/m1/s1

InChI Key

JRKGOICRKYWILS-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27548083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.821

Distribution Coefficient, logD

2.821

Water Solubility, LogSw

-3.20

Polar Surface Area

57.979

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

M575-0414 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 M575-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M575-0414?
Check Price and Availability of M575-0414, 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 M575-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M575-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M575-0414
  • 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 M575-0414 available by request