M563-0653 Screening compound: 7-(butyrylamino)-N~3~,N~3~-dimethyl-2-(tetrahydro-2-furanylcarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

M563-0653 Screening compound: 7-(butyrylamino)-N~3~,N~3~-dimethyl-2-(tetrahydro-2-furanylcarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
M563-0653 Screening compound: 7-(butyrylamino)-N~3~,N~3~-dimethyl-2-(tetrahydro-2-furanylcarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M563-0653
7-(butyrylamino)-N~3~,N~3~-dimethyl-2-(tetrahydro-2-furanylcarbonyl)-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

M563-0653

Molecular Formula

C21H29N3O4 (C21 H29 N3 O4)

Compound Name

7-(butyrylamino)-N~3~,N~3~-dimethyl-2-(tetrahydro-2-furanylcarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

IUPAC name

n/a

SMILES

CCCC(Nc1cc(CN(C(C2)C(N(C)C)=O)C(C3OCCC3)=O)c2cc1)=O

InChI

InChI=1S/C21H29N3O4/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/h8-9,11,17-18H,4-7,10,12-13H2,1-3H3,(H,22,25)

InChI Key

SZFIJHJYTKGXLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27547178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

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

1.110

Distribution Coefficient, logD

1.110

Water Solubility, LogSw

-2.25

Polar Surface Area

63.804

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

M563-0653 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M563-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M563-0653?
Check Price and Availability of M563-0653, 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 M563-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M563-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M563-0653
  • 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 M563-0653 available by request