M563-0649 Screening compound: 7-butanamido-2-(furan-2-carbonyl)-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

M563-0649 Screening compound: 7-butanamido-2-(furan-2-carbonyl)-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
M563-0649 Screening compound: 7-butanamido-2-(furan-2-carbonyl)-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M563-0649
7-butanamido-2-(furan-2-carbonyl)-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

M563-0649

Molecular Formula

C21H25N3O4 (C21 H25 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCC(Nc1cc(CN(C(C2)C(N(C)C)=O)C(c3ccco3)=O)c2cc1)=O

InChI

InChI=1S/C21H25N3O4/c1-4-6-19(25)22-16-9-8-14-12-17(20(26)23(2)3)24(13-15(14)11-16)21(27)18-7-5-10-28-18/h5,7-11,17H,4,6,12-13H2,1-3H3,(H,22,25)/t17-/m0/s1

InChI Key

LGHWVGBGGKXCFP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27547177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.787

Distribution Coefficient, logD

1.787

Water Solubility, LogSw

-2.46

Polar Surface Area

63.971

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

M563-0649 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with M563-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M563-0649?
Check Price and Availability of M563-0649, 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 M563-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M563-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M563-0649
  • 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 M563-0649 available by request