M563-0616 Screening compound: 7-butanamido-2-(3-chlorobenzoyl)-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

M563-0616 Screening compound: 7-butanamido-2-(3-chlorobenzoyl)-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
M563-0616 Screening compound: 7-butanamido-2-(3-chlorobenzoyl)-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M563-0616
7-butanamido-2-(3-chlorobenzoyl)-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-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

M563-0616

Molecular Formula

C23H26ClN3O3 (C23 H26 ClN3 O3)

Compound Name

7-butanamido-2-(3-chlorobenzoyl)-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

7-butanamido-2-(3-chlorobenzoyl)-NN-dimethyl-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

CCCC(Nc1cc(CN(C(C2)C(N(C)C)=O)C(c3cccc(Cl)c3)=O)c2cc1)=O

InChI

InChI=1S/C23H26ClN3O3/c1-4-6-21(28)25-19-10-9-15-13-20(23(30)26(2)3)27(14-17(15)12-19)22(29)16-7-5-8-18(24)11-16/h5,7-12,20H,4,6,13-14H2,1-3H3,(H,25,28)/t20-/m0/s1

InChI Key

SSPOJPVQJPLIBP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27547163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.155

Distribution Coefficient, logD

3.155

Water Solubility, LogSw

-3.60

Polar Surface Area

55.392

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

M563-0616 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)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 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
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M563-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M563-0616?
Check Price and Availability of M563-0616, 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 M563-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M563-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M563-0616
  • 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 M563-0616 available by request