0777-4917 Screening compound: 4-(hexyloxy)phenyl pyridine-3-carboxylate

0777-4917 Screening compound: 4-(hexyloxy)phenyl pyridine-3-carboxylate
0777-4917 Screening compound: 4-(hexyloxy)phenyl pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0777-4917
4-(hexyloxy)phenyl 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

0777-4917

Molecular Formula

C18H21NO3 (C18 H21 NO3)

Compound Name

4-(hexyloxy)phenyl pyridine-3-carboxylate

IUPAC name

4-(hexyloxy)phenyl pyridine-3-carboxylate

SMILES

CCCCCCOc(cc1)ccc1OC(c1cnccc1)=O

InChI

InChI=1S/C18H21NO3/c1-2-3-4-5-13-21-16-8-10-17(11-9-16)22-18(20)15-7-6-12-19-14-15/h6-12,14H,2-5,13H2,1H3

InChI Key

PVTFJDBNPHDFLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00991759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.394

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.15

Polar Surface Area

37.552

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0777-4917 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Human Receptors Annotated Library (5376 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0777-4917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0777-4917?
Check Price and Availability of 0777-4917, 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 0777-4917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0777-4917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0777-4917
  • 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 0777-4917 available by request