M594-1116 Screening compound: 3,3-dimethyl-N-[(2-phenyl-3-pyridyl)methyl]butanamide

M594-1116 Screening compound: 3,3-dimethyl-N-[(2-phenyl-3-pyridyl)methyl]butanamide
M594-1116 Screening compound: 3,3-dimethyl-N-[(2-phenyl-3-pyridyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M594-1116
3,3-dimethyl-N-[(2-phenyl-3-pyridyl)methyl]butanamide

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

M594-1116

Molecular Formula

C18H22N2O (C18 H22 N2 O)

Compound Name

3,3-dimethyl-N-[(2-phenyl-3-pyridyl)methyl]butanamide

IUPAC name

33-dimethyl-N-[(2-phenylpyridin-3-yl)methyl]butanamide

SMILES

CC(C)(C)CC(NCc1c(-c2ccccc2)nccc1)=O

InChI

InChI=1S/C18H22N2O/c1-18(2,3)12-16(21)20-13-15-10-7-11-19-17(15)14-8-5-4-6-9-14/h4-11H,12-13H2,1-3H3,(H,20,21)

InChI Key

LCFFGPNMHMPAHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.536

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.39

Polar Surface Area

34.257

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

M594-1116 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M594-1116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M594-1116?
Check Price and Availability of M594-1116, 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 M594-1116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M594-1116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M594-1116
  • 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 M594-1116 available by request