8011-0719 Screening compound: methyl 4-(1,3-dioxan-2-yl)benzoate

8011-0719 Screening compound: methyl 4-(1,3-dioxan-2-yl)benzoate
8011-0719 Screening compound: methyl 4-(1,3-dioxan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0719
methyl 4-(1,3-dioxan-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

8011-0719

Molecular Formula

C12H14O4 (C12 H14 O4)

Compound Name

methyl 4-(1,3-dioxan-2-yl)benzoate

IUPAC name

methyl 4-(13-dioxan-2-yl)benzoate

SMILES

COC(c1ccc(C2OCCCO2)cc1)=O

InChI

InChI=1S/C12H14O4/c1-14-11(13)9-3-5-10(6-4-9)12-15-7-2-8-16-12/h3-6,12H,2,7-8H2,1H3

InChI Key

KMFDOQIVXCQKPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02612723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.432

Distribution Coefficient, logD

1.432

Water Solubility, LogSw

-1.63

Polar Surface Area

37.828

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

8011-0719 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8011-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0719?
Check Price and Availability of 8011-0719, 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 8011-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0719
  • 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 8011-0719 available by request