Y080-1333 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2-methylpropanamide

Y080-1333 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2-methylpropanamide
Y080-1333 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1333
N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2-methylpropanamide

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

Y080-1333

Molecular Formula

C17H17N3O (C17 H17 N3 O)

Compound Name

N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2-methylpropanamide

IUPAC name

N-[4-(1H-13-benzodiazol-2-yl)phenyl]-2-methylpropanamide

SMILES

CC(C)C(Nc(cc1)ccc1-c1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C17H17N3O/c1-11(2)17(21)18-13-9-7-12(8-10-13)16-19-14-5-3-4-6-15(14)20-16/h3-11H,1-2H3,(H,18,21)(H,19,20)

InChI Key

BLZGHROAIFBHFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01604850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.691

Distribution Coefficient, logD

3.690

Water Solubility, LogSw

-4.08

Polar Surface Area

42.621

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

Y080-1333 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y080-1333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1333?
Check Price and Availability of Y080-1333, 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 Y080-1333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1333
  • 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 Y080-1333 available by request