M575-0171 Screening compound: N-[(4-bromophenyl)methyl]-2-ethyl-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

M575-0171 Screening compound: N-[(4-bromophenyl)methyl]-2-ethyl-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
M575-0171 Screening compound: N-[(4-bromophenyl)methyl]-2-ethyl-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M575-0171
N-[(4-bromophenyl)methyl]-2-ethyl-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

M575-0171

Molecular Formula

C19H19BrN2O2 (C19 H19 BrN2 O2)

Compound Name

N-[(4-bromophenyl)methyl]-2-ethyl-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

IUPAC name

N-[(4-bromophenyl)methyl]-2-ethyl-3-oxo-1234-tetrahydroisoquinoline-1-carboxamide

SMILES

CCN(C(C(NCc(cc1)ccc1Br)=O)c1c(C2)cccc1)C2=O

InChI

InChI=1S/C19H19BrN2O2/c1-2-22-17(23)11-14-5-3-4-6-16(14)18(22)19(24)21-12-13-7-9-15(20)10-8-13/h3-10,18H,2,11-12H2,1H3,(H,21,24)/t18-/m1/s1

InChI Key

PBAYAEUKUOTMNJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27548027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

3.258

Water Solubility, LogSw

-3.14

Polar Surface Area

40.610

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

M575-0171 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

Immunological Library (6760 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

Therapeutical areas:
  • Cardiovascular
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with M575-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M575-0171?
Check Price and Availability of M575-0171, 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 M575-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M575-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M575-0171
  • 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 M575-0171 available by request