7706-0112 Screening compound: 2,6-di-tert-butyl-4-[(4-methoxyphenyl)(piperidin-1-yl)methyl]phenol

7706-0112 Screening compound: 2,6-di-tert-butyl-4-[(4-methoxyphenyl)(piperidin-1-yl)methyl]phenol
7706-0112 Screening compound: 2,6-di-tert-butyl-4-[(4-methoxyphenyl)(piperidin-1-yl)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0112
2,6-di-tert-butyl-4-[(4-methoxyphenyl)(piperidin-1-yl)methyl]phenol

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

7706-0112

Molecular Formula

C27H39NO2 (C27 H39 NO2)

Compound Name

2,6-di-tert-butyl-4-[(4-methoxyphenyl)(piperidin-1-yl)methyl]phenol

IUPAC name

26-di-tert-butyl-4-[(4-methoxyphenyl)(piperidin-1-yl)methyl]phenol

SMILES

CC(C)(C)c1cc(C(c(cc2)ccc2OC)N2CCCCC2)cc(C(C)(C)C)c1O

InChI

InChI=1S/C27H39NO2/c1-26(2,3)22-17-20(18-23(25(22)29)27(4,5)6)24(28-15-9-8-10-16-28)19-11-13-21(30-7)14-12-19/h11-14,17-18,24,29H,8-10,15-16H2,1-7H3/t24-/m0/s1

InChI Key

NCXSPZYKHJGFIK-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02656087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.970

Distribution Coefficient, logD

1.915

Water Solubility, LogSw

-5.68

Polar Surface Area

26.015

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

12.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with 7706-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0112?
Check Price and Availability of 7706-0112, 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 7706-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0112
  • 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 7706-0112 available by request