Y040-3161 Screening compound: N-(2,1,3-benzoxadiazol-4-yl)-2-pyridinecarboxamide

Y040-3161 Screening compound: N-(2,1,3-benzoxadiazol-4-yl)-2-pyridinecarboxamide
Y040-3161 Screening compound: N-(2,1,3-benzoxadiazol-4-yl)-2-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3161
N-(2,1,3-benzoxadiazol-4-yl)-2-pyridinecarboxamide

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

Y040-3161

Molecular Formula

C12H8N4O2 (C12 H8 N4 O2)

Compound Name

N-(2,1,3-benzoxadiazol-4-yl)-2-pyridinecarboxamide

IUPAC name

N-(213-benzoxadiazol-4-yl)pyridine-2-carboxamide

SMILES

O=C(c1ncccc1)Nc1cccc2nonc12

InChI

InChI=1S/C12H8N4O2/c17-12(10-4-1-2-7-13-10)14-8-5-3-6-9-11(8)16-18-15-9/h1-7H,(H,14,17)

InChI Key

CHUOLVMRYDGHHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09844190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.402

Distribution Coefficient, logD

2.394

Water Solubility, LogSw

-2.85

Polar Surface Area

67.769

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y040-3161 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y040-3161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3161?
Check Price and Availability of Y040-3161, 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 Y040-3161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3161
  • 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 Y040-3161 available by request