0777-4366 Screening compound: 4-bromophenyl 4-(5-propylpyridin-2-yl)benzoate

0777-4366 Screening compound: 4-bromophenyl 4-(5-propylpyridin-2-yl)benzoate
0777-4366 Screening compound: 4-bromophenyl 4-(5-propylpyridin-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0777-4366
4-bromophenyl 4-(5-propylpyridin-2-yl)benzoate

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

0777-4366

Molecular Formula

C21H18BrNO2 (C21 H18 BrNO2)

Compound Name

4-bromophenyl 4-(5-propylpyridin-2-yl)benzoate

IUPAC name

4-bromophenyl 4-(5-propylpyridin-2-yl)benzoate

SMILES

CCCc(cc1)cnc1-c(cc1)ccc1C(Oc(cc1)ccc1Br)=O

InChI

InChI=1S/C21H18BrNO2/c1-2-3-15-4-13-20(23-14-15)16-5-7-17(8-6-16)21(24)25-19-11-9-18(22)10-12-19/h4-14H,2-3H2,1H3

InChI Key

ZLGODQZDLHXUAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.247

Distribution Coefficient, logD

6.244

Water Solubility, LogSw

-5.46

Polar Surface Area

29.482

Acid Dissociation Constant (pKa)

23.93

Base Dissociation Constant (pKb)

5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

0777-4366 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 0777-4366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0777-4366?
Check Price and Availability of 0777-4366, 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 0777-4366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0777-4366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0777-4366
  • 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 0777-4366 available by request