0777-4416 Screening compound: 4-bromophenyl 5-bromopyridine-3-carboxylate

0777-4416 Screening compound: 4-bromophenyl 5-bromopyridine-3-carboxylate
0777-4416 Screening compound: 4-bromophenyl 5-bromopyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0777-4416
4-bromophenyl 5-bromopyridine-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

0777-4416

Molecular Formula

C12H7Br2NO2 (C12 H7 Br2 NO2)

Compound Name

4-bromophenyl 5-bromopyridine-3-carboxylate

IUPAC name

4-bromophenyl 5-bromopyridine-3-carboxylate

SMILES

O=C(c1cc(Br)cnc1)Oc(cc1)ccc1Br

InChI

InChI=1S/C12H7Br2NO2/c13-9-1-3-11(4-2-9)17-12(16)8-5-10(14)7-15-6-8/h1-7H

InChI Key

GFDUHBSINZFEPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00991717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357

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

3.844

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-3.90

Polar Surface Area

30.224

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0777-4416 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0777-4416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0777-4416?
Check Price and Availability of 0777-4416, 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 0777-4416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0777-4416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0777-4416
  • 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 0777-4416 available by request