P060-0894 Screening compound: 2-ethyl-N-{[4-(1H-imidazol-1-yl)phenyl]methyl}butanamide

P060-0894 Screening compound: 2-ethyl-N-{[4-(1H-imidazol-1-yl)phenyl]methyl}butanamide
P060-0894 Screening compound: 2-ethyl-N-{[4-(1H-imidazol-1-yl)phenyl]methyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P060-0894
2-ethyl-N-{[4-(1H-imidazol-1-yl)phenyl]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

P060-0894

Molecular Formula

C16H21N3O (C16 H21 N3 O)

Compound Name

2-ethyl-N-{[4-(1H-imidazol-1-yl)phenyl]methyl}butanamide

IUPAC name

2-ethyl-N-{[4-(1H-imidazol-1-yl)phenyl]methyl}butanamide

SMILES

CCC(CC)C(NCc(cc1)ccc1-n1cncc1)=O

InChI

InChI=1S/C16H21N3O/c1-3-14(4-2)16(20)18-11-13-5-7-15(8-6-13)19-10-9-17-12-19/h5-10,12,14H,3-4,11H2,1-2H3,(H,18,20)

InChI Key

ULYYPKFUPXWJMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.118

Distribution Coefficient, logD

2.093

Water Solubility, LogSw

-2.46

Polar Surface Area

37.649

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

P060-0894 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Angiogenesis library (14822 compounds)

CNS BBB Library (22607 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P060-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P060-0894?
Check Price and Availability of P060-0894, 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 P060-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P060-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P060-0894
  • 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 P060-0894 available by request