0591-5210 Screening compound: pyridin-3-yl 4-butoxybenzoate

0591-5210 Screening compound: pyridin-3-yl 4-butoxybenzoate
0591-5210 Screening compound: pyridin-3-yl 4-butoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-5210
pyridin-3-yl 4-butoxybenzoate

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

0591-5210

Molecular Formula

C16H17NO3 (C16 H17 NO3)

Compound Name

pyridin-3-yl 4-butoxybenzoate

IUPAC name

pyridin-3-yl 4-butoxybenzoate

SMILES

CCCCOc(cc1)ccc1C(Oc1cnccc1)=O

InChI

InChI=1S/C16H17NO3/c1-2-3-11-19-14-8-6-13(7-9-14)16(18)20-15-5-4-10-17-12-15/h4-10,12H,2-3,11H2,1H3

InChI Key

BDHVAVGVQMGKCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00989670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.460

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.26

Polar Surface Area

37.552

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0591-5210 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

STING Agonist Library (5895 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0591-5210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-5210?
Check Price and Availability of 0591-5210, 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 0591-5210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-5210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-5210
  • 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 0591-5210 available by request