0938-8020 Screening compound: 4-(5-propylpyridin-2-yl)phenyl 4-butylbenzoate

0938-8020 Screening compound: 4-(5-propylpyridin-2-yl)phenyl 4-butylbenzoate
0938-8020 Screening compound: 4-(5-propylpyridin-2-yl)phenyl 4-butylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0938-8020
4-(5-propylpyridin-2-yl)phenyl 4-butylbenzoate

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

0938-8020

Molecular Formula

C25H27NO2 (C25 H27 NO2)

Compound Name

4-(5-propylpyridin-2-yl)phenyl 4-butylbenzoate

IUPAC name

4-(5-propylpyridin-2-yl)phenyl 4-butylbenzoate

SMILES

CCCCc(cc1)ccc1C(Oc(cc1)ccc1-c1ncc(CCC)cc1)=O

InChI

InChI=1S/C25H27NO2/c1-3-5-7-19-8-11-22(12-9-19)25(27)28-23-15-13-21(14-16-23)24-17-10-20(6-4-2)18-26-24/h8-18H,3-7H2,1-2H3

InChI Key

NEMVTSAONRSXJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.383

Distribution Coefficient, logD

7.377

Water Solubility, LogSw

-5.69

Polar Surface Area

29.482

Acid Dissociation Constant (pKa)

23.93

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

0938-8020 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0938-8020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0938-8020?
Check Price and Availability of 0938-8020, 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 0938-8020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0938-8020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0938-8020
  • 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 0938-8020 available by request