0153-0044 Screening compound: 4-(octyloxy)phenyl 4-(5-pentylpyridin-2-yl)benzoate

0153-0044 Screening compound: 4-(octyloxy)phenyl 4-(5-pentylpyridin-2-yl)benzoate
0153-0044 Screening compound: 4-(octyloxy)phenyl 4-(5-pentylpyridin-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0153-0044
4-(octyloxy)phenyl 4-(5-pentylpyridin-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

0153-0044

Molecular Formula

C31H39NO3 (C31 H39 NO3)

Compound Name

4-(octyloxy)phenyl 4-(5-pentylpyridin-2-yl)benzoate

IUPAC name

4-(octyloxy)phenyl 4-(5-pentylpyridin-2-yl)benzoate

SMILES

CCCCCCCCOc(cc1)ccc1OC(c(cc1)ccc1-c1ncc(CCCCC)cc1)=O

InChI

InChI=1S/C31H39NO3/c1-3-5-7-8-9-11-23-34-28-18-20-29(21-19-28)35-31(33)27-16-14-26(15-17-27)30-22-13-25(24-32-30)12-10-6-4-2/h13-22,24H,3-12,23H2,1-2H3

InChI Key

XRDORBKAIVNBHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00982803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

10.002

Distribution Coefficient, logD

9.999

Water Solubility, LogSw

-5.71

Polar Surface Area

36.900

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

0153-0044 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0153-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0153-0044?
Check Price and Availability of 0153-0044, 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 0153-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0153-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0153-0044
  • 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 0153-0044 available by request