M575-1042 Screening compound: 2-benzyl-N-(3-methylbutyl)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

M575-1042 Screening compound: 2-benzyl-N-(3-methylbutyl)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
M575-1042 Screening compound: 2-benzyl-N-(3-methylbutyl)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M575-1042
2-benzyl-N-(3-methylbutyl)-3-oxo-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

M575-1042

Molecular Formula

C22H26N2O2 (C22 H26 N2 O2)

Compound Name

2-benzyl-N-(3-methylbutyl)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

IUPAC name

2-benzyl-N-(3-methylbutyl)-3-oxo-1234-tetrahydroisoquinoline-1-carboxamide

SMILES

CC(C)CCNC(C(c1c(C2)cccc1)N(Cc1ccccc1)C2=O)=O

InChI

InChI=1S/C22H26N2O2/c1-16(2)12-13-23-22(26)21-19-11-7-6-10-18(19)14-20(25)24(21)15-17-8-4-3-5-9-17/h3-11,16,21H,12-15H2,1-2H3,(H,23,26)/t21-/m1/s1

InChI Key

WQECIRQAHJJWGJ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27548198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.46

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

3.735

Distribution Coefficient, logD

3.735

Water Solubility, LogSw

-3.95

Polar Surface Area

40.727

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

M575-1042 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with M575-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M575-1042?
Check Price and Availability of M575-1042, 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 M575-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M575-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M575-1042
  • 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 M575-1042 available by request