1658-0125 Screening compound: 1-(4-tert-butylphenyl)ethan-1-ol

1658-0125 Screening compound: 1-(4-tert-butylphenyl)ethan-1-ol
1658-0125 Screening compound: 1-(4-tert-butylphenyl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1658-0125
1-(4-tert-butylphenyl)ethan-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

1658-0125

Molecular Formula

C12H18O (C12 H18 O)

Compound Name

1-(4-tert-butylphenyl)ethan-1-ol

IUPAC name

1-(4-tert-butylphenyl)ethan-1-ol

SMILES

CC(c1ccc(C(C)(C)C)cc1)O

InChI

InChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3/t9-/m0/s1

InChI Key

KEJQAXFZHFUFBI-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00021869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

178.27

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.379

Distribution Coefficient, logD

3.379

Water Solubility, LogSw

-2.98

Polar Surface Area

16.249

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

1658-0125 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1658-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1658-0125?
Check Price and Availability of 1658-0125, 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 1658-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1658-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1658-0125
  • 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 1658-0125 available by request