M563-1121 Screening compound: 7-(acetylamino)-N~3~,N~3~-dimethyl-2-(3-methylbutanoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

M563-1121 Screening compound: 7-(acetylamino)-N~3~,N~3~-dimethyl-2-(3-methylbutanoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
M563-1121 Screening compound: 7-(acetylamino)-N~3~,N~3~-dimethyl-2-(3-methylbutanoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M563-1121
7-(acetylamino)-N~3~,N~3~-dimethyl-2-(3-methylbutanoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

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

M563-1121

Molecular Formula

C19H27N3O3 (C19 H27 N3 O3)

Compound Name

7-(acetylamino)-N~3~,N~3~-dimethyl-2-(3-methylbutanoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

IUPAC name

7-acetamido-NN-dimethyl-2-(3-methylbutanoyl)-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

CC(C)CC(N(Cc1c(C2)ccc(NC(C)=O)c1)C2C(N(C)C)=O)=O

InChI

InChI=1S/C19H27N3O3/c1-12(2)8-18(24)22-11-15-9-16(20-13(3)23)7-6-14(15)10-17(22)19(25)21(4)5/h6-7,9,12,17H,8,10-11H2,1-5H3,(H,20,23)/t17-/m0/s1

InChI Key

AXWCIUSGAIHDSC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27547206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.419

Distribution Coefficient, logD

1.419

Water Solubility, LogSw

-2.22

Polar Surface Area

55.249

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

M563-1121 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with M563-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M563-1121?
Check Price and Availability of M563-1121, 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 M563-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M563-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M563-1121
  • 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 M563-1121 available by request