M563-1160 Screening compound: 7-(acetylamino)-2-(2,4-dimethylbenzoyl)-N~3~,N~3~-dimethyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

M563-1160 Screening compound: 7-(acetylamino)-2-(2,4-dimethylbenzoyl)-N~3~,N~3~-dimethyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
M563-1160 Screening compound: 7-(acetylamino)-2-(2,4-dimethylbenzoyl)-N~3~,N~3~-dimethyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M563-1160
7-(acetylamino)-2-(2,4-dimethylbenzoyl)-N~3~,N~3~-dimethyl-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

M563-1160

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

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

IUPAC name

2-(24-dimethylbenzoyl)-7-acetamido-NN-dimethyl-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

CC(Nc1cc(CN(C(C2)C(N(C)C)=O)C(c3c(C)cc(C)cc3)=O)c2cc1)=O

InChI

InChI=1S/C23H27N3O3/c1-14-6-9-20(15(2)10-14)22(28)26-13-18-11-19(24-16(3)27)8-7-17(18)12-21(26)23(29)25(4)5/h6-11,21H,12-13H2,1-5H3,(H,24,27)/t21-/m0/s1

InChI Key

JPYSHKOGESYUDV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27547218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

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

2.529

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-2.98

Polar Surface Area

55.505

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

M563-1160 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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 M563-1160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M563-1160?
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What is the minimum amount of M563-1160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M563-1160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M563-1160
  • 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 M563-1160 available by request