0354-0050 Screening compound: 2-methyl-2-phenoxypropane-1,3-diol

0354-0050 Screening compound: 2-methyl-2-phenoxypropane-1,3-diol
0354-0050 Screening compound: 2-methyl-2-phenoxypropane-1,3-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0354-0050
2-methyl-2-phenoxypropane-1,3-diol

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

0354-0050

Molecular Formula

C10H14O3 (C10 H14 O3)

Compound Name

2-methyl-2-phenoxypropane-1,3-diol

IUPAC name

2-methyl-2-phenoxypropane-13-diol

SMILES

CC(CO)(CO)Oc1ccccc1

InChI

InChI=1S/C10H14O3/c1-10(7-11,8-12)13-9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3

InChI Key

WZGSDPDMUUNVPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00458011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

182.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.210

Distribution Coefficient, logD

1.210

Water Solubility, LogSw

-1.12

Polar Surface Area

40.468

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

0354-0050 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0354-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0354-0050?
Check Price and Availability of 0354-0050, 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 0354-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0354-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0354-0050
  • 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 0354-0050 available by request