0611-0048 Screening compound: 6-methylpyridin-3-yl 4-butoxybenzoate

0611-0048 Screening compound: 6-methylpyridin-3-yl 4-butoxybenzoate
0611-0048 Screening compound: 6-methylpyridin-3-yl 4-butoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0611-0048
6-methylpyridin-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

0611-0048

Molecular Formula

C17H19NO3 (C17 H19 NO3)

Compound Name

6-methylpyridin-3-yl 4-butoxybenzoate

IUPAC name

6-methylpyridin-3-yl 4-butoxybenzoate

SMILES

CCCCOc(cc1)ccc1C(Oc1cnc(C)cc1)=O

InChI

InChI=1S/C17H19NO3/c1-3-4-11-20-15-9-6-14(7-10-15)17(19)21-16-8-5-13(2)18-12-16/h5-10,12H,3-4,11H2,1-2H3

InChI Key

RHSNSVUOCYPDJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00983977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.34

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

4.013

Distribution Coefficient, logD

4.013

Water Solubility, LogSw

-3.93

Polar Surface Area

36.978

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

0611-0048 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Frequent Hitters Library (7624 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
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0611-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0611-0048?
Check Price and Availability of 0611-0048, 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 0611-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0611-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0611-0048
  • 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 0611-0048 available by request