6228-0064 Screening compound: 4-methyl-2-(2-phenylpropyl)-1,3-dioxolane

6228-0064 Screening compound: 4-methyl-2-(2-phenylpropyl)-1,3-dioxolane
6228-0064 Screening compound: 4-methyl-2-(2-phenylpropyl)-1,3-dioxolane alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0064
4-methyl-2-(2-phenylpropyl)-1,3-dioxolane

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

6228-0064

Molecular Formula

C13H18O2 (C13 H18 O2)

Compound Name

4-methyl-2-(2-phenylpropyl)-1,3-dioxolane

IUPAC name

4-methyl-2-(2-phenylpropyl)-13-dioxolane

SMILES

CC(CC1OC(C)CO1)c1ccccc1

InChI

InChI=1S/C13H18O2/c1-10(12-6-4-3-5-7-12)8-13-14-9-11(2)15-13/h3-7,10-11,13H,8-9H2,1-2H3

InChI Key

JVVKHPVHCMSPGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00447509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

3.305

Water Solubility, LogSw

-3.40

Polar Surface Area

17.167

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

53.80

6228-0064 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 6228-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0064?
Check Price and Availability of 6228-0064, 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 6228-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0064
  • 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 6228-0064 available by request