M291-3586 Screening compound: 7-[(cyclobutylcarbonyl)amino]-N-isopentyl-2-methyl-5-quinolinecarboxamide

M291-3586 Screening compound: 7-[(cyclobutylcarbonyl)amino]-N-isopentyl-2-methyl-5-quinolinecarboxamide
M291-3586 Screening compound: 7-[(cyclobutylcarbonyl)amino]-N-isopentyl-2-methyl-5-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M291-3586
7-[(cyclobutylcarbonyl)amino]-N-isopentyl-2-methyl-5-quinolinecarboxamide

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

M291-3586

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

7-[(cyclobutylcarbonyl)amino]-N-isopentyl-2-methyl-5-quinolinecarboxamide

IUPAC name

7-cyclobutaneamido-2-methyl-N-(3-methylbutyl)quinoline-5-carboxamide

SMILES

CC(C)CCNC(c1cc(NC(C2CCC2)=O)cc2nc(C)ccc12)=O

InChI

InChI=1S/C21H27N3O2/c1-13(2)9-10-22-21(26)18-11-16(24-20(25)15-5-4-6-15)12-19-17(18)8-7-14(3)23-19/h7-8,11-13,15H,4-6,9-10H2,1-3H3,(H,22,26)(H,24,25)

InChI Key

UBQACXCMRWALKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27535391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.713

Distribution Coefficient, logD

3.712

Water Solubility, LogSw

-3.87

Polar Surface Area

56.516

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

M291-3586 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M291-3586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M291-3586?
Check Price and Availability of M291-3586, 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 M291-3586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M291-3586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M291-3586
  • 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 M291-3586 available by request