Y040-4949 Screening compound: N-(6-methylpyridin-2-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

Y040-4949 Screening compound: N-(6-methylpyridin-2-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide
Y040-4949 Screening compound: N-(6-methylpyridin-2-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4949
N-(6-methylpyridin-2-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

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

Y040-4949

Molecular Formula

C14H12N6O (C14 H12 N6 O)

Compound Name

N-(6-methylpyridin-2-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

N-(6-methylpyridin-2-yl)-2-(1H-1234-tetrazol-1-yl)benzamide

SMILES

Cc1cccc(NC(c(cccc2)c2-n2nnnc2)=O)n1

InChI

InChI=1S/C14H12N6O/c1-10-5-4-8-13(16-10)17-14(21)11-6-2-3-7-12(11)20-9-15-18-19-20/h2-9H,1H3,(H,16,17,21)

InChI Key

GCCHAQMERVVEGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12203745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.160

Distribution Coefficient, logD

2.158

Water Solubility, LogSw

-3.09

Polar Surface Area

71.783

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

Y040-4949 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-4949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4949?
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What is the minimum amount of Y040-4949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4949
  • 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 Y040-4949 available by request