0777-4864 Screening compound: 4-bromophenyl pyridine-3-carboxylate

0777-4864 Screening compound: 4-bromophenyl pyridine-3-carboxylate
0777-4864 Screening compound: 4-bromophenyl pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0777-4864
4-bromophenyl pyridine-3-carboxylate

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

0777-4864

Molecular Formula

C12H8BrNO2 (C12 H8 BrNO2)

Compound Name

4-bromophenyl pyridine-3-carboxylate

IUPAC name

4-bromophenyl pyridine-3-carboxylate

SMILES

O=C(c1cnccc1)Oc(cc1)ccc1Br

InChI

InChI=1S/C12H8BrNO2/c13-10-3-5-11(6-4-10)16-12(15)9-2-1-7-14-8-9/h1-8H

InChI Key

IGDIXDDHLZTNIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00601971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.11

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.749

Distribution Coefficient, logD

2.749

Water Solubility, LogSw

-2.79

Polar Surface Area

30.134

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0777-4864 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0777-4864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0777-4864?
Check Price and Availability of 0777-4864, 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 0777-4864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0777-4864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0777-4864
  • 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 0777-4864 available by request