6117-0156 Screening compound: [2-(4-methoxybenzoyloxy)propyl]trimethylazanium

6117-0156 Screening compound: [2-(4-methoxybenzoyloxy)propyl]trimethylazanium
6117-0156 Screening compound: [2-(4-methoxybenzoyloxy)propyl]trimethylazanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 6117-0156
[2-(4-methoxybenzoyloxy)propyl]trimethylazanium

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

6117-0156

Molecular Formula

C14H22NO3 (C14 H22 NO3)

Compound Name

[2-(4-methoxybenzoyloxy)propyl]trimethylazanium

IUPAC name

[2-(4-methoxybenzoyloxy)propyl]trimethylazanium

SMILES

CC(C[N+](C)(C)C)OC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C14H22NO3/c1-11(10-15(2,3)4)18-14(16)12-6-8-13(17-5)9-7-12/h6-9,11H,10H2,1-5H3/q+1/t11-/m0/s1

InChI Key

SONDGBVNSUUHNL-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

252.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

2.355

Water Solubility, LogSw

-2.52

Polar Surface Area

27.687

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

6117-0156 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Agro:
  • Agro
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 6117-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6117-0156?
Check Price and Availability of 6117-0156, 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 6117-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6117-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6117-0156
  • 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 6117-0156 available by request