2331-0523 Screening compound: 1-(4-methoxyphenyl)-1-phenylprop-2-yn-1-ol

2331-0523 Screening compound: 1-(4-methoxyphenyl)-1-phenylprop-2-yn-1-ol
2331-0523 Screening compound: 1-(4-methoxyphenyl)-1-phenylprop-2-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2331-0523
1-(4-methoxyphenyl)-1-phenylprop-2-yn-1-ol

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

2331-0523

Molecular Formula

C16H14O2 (C16 H14 O2)

Compound Name

1-(4-methoxyphenyl)-1-phenylprop-2-yn-1-ol

IUPAC name

1-(4-methoxyphenyl)-1-phenylprop-2-yn-1-ol

SMILES

COc1ccc(C(c2ccccc2)(C#C)O)cc1

InChI

InChI=1S/C16H14O2/c1-3-16(17,13-7-5-4-6-8-13)14-9-11-15(18-2)12-10-14/h1,4-12,17H,2H3/t16-/m0/s1

InChI Key

GFXPTJXRUZIADA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01841245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.775

Distribution Coefficient, logD

2.775

Water Solubility, LogSw

-2.83

Polar Surface Area

23.046

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

2331-0523 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2331-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2331-0523?
Check Price and Availability of 2331-0523, 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 2331-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2331-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2331-0523
  • 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 2331-0523 available by request