0266-0076 Screening compound: 3-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

0266-0076 Screening compound: 3-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
0266-0076 Screening compound: 3-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0266-0076
3-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

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

0266-0076

Molecular Formula

C18H28N2O (C18 H28 N2 O)

Compound Name

3-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

IUPAC name

3-(azepan-1-yl)-N-(246-trimethylphenyl)propanamide

SMILES

Cc(cc1C)cc(C)c1NC(CCN1CCCCCC1)=O

InChI

InChI=1S/C18H28N2O/c1-14-12-15(2)18(16(3)13-14)19-17(21)8-11-20-9-6-4-5-7-10-20/h12-13H,4-11H2,1-3H3,(H,19,21)

InChI Key

KJCVTRCUIMUEDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804940

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

288.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.248

Distribution Coefficient, logD

1.982

Water Solubility, LogSw

-3.13

Polar Surface Area

26.034

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

0266-0076 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with 0266-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0266-0076?
Check Price and Availability of 0266-0076, 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 0266-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0266-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0266-0076
  • 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 0266-0076 available by request