0611-0019 Screening compound: 6-methylpyridin-3-yl 4-(4-propylcyclohexyl)benzoate

0611-0019 Screening compound: 6-methylpyridin-3-yl 4-(4-propylcyclohexyl)benzoate
0611-0019 Screening compound: 6-methylpyridin-3-yl 4-(4-propylcyclohexyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0611-0019
6-methylpyridin-3-yl 4-(4-propylcyclohexyl)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

0611-0019

Molecular Formula

C22H27NO2 (C22 H27 NO2)

Compound Name

6-methylpyridin-3-yl 4-(4-propylcyclohexyl)benzoate

IUPAC name

6-methylpyridin-3-yl 4-(4-propylcyclohexyl)benzoate

SMILES

CCCC(CC1)CCC1c(cc1)ccc1C(Oc1cnc(C)cc1)=O

InChI

InChI=1S/C22H27NO2/c1-3-4-17-6-8-18(9-7-17)19-10-12-20(13-11-19)22(24)25-21-14-5-16(2)23-15-21/h5,10-15,17-18H,3-4,6-9H2,1-2H3

InChI Key

MMTYIHJHZJHQEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.338

Distribution Coefficient, logD

6.338

Water Solubility, LogSw

-5.51

Polar Surface Area

29.481

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

0611-0019 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

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 0611-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0611-0019?
Check Price and Availability of 0611-0019, 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 0611-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0611-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0611-0019
  • 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 0611-0019 available by request