0471-0010 Screening compound: 2,6-di-tert-butyl-4-[(piperidin-1-yl)methyl]phenol

0471-0010 Screening compound: 2,6-di-tert-butyl-4-[(piperidin-1-yl)methyl]phenol
0471-0010 Screening compound: 2,6-di-tert-butyl-4-[(piperidin-1-yl)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0471-0010
2,6-di-tert-butyl-4-[(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

0471-0010

Molecular Formula

C20H33NO (C20 H33 NO)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1cc(CN2CCCCC2)cc(C(C)(C)C)c1O

InChI

InChI=1S/C20H33NO/c1-19(2,3)16-12-15(14-21-10-8-7-9-11-21)13-17(18(16)22)20(4,5)6/h12-13,22H,7-11,14H2,1-6H3

InChI Key

KUUXVJOSGMQDOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00962483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.49

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

4.961

Distribution Coefficient, logD

-1.343

Water Solubility, LogSw

-4.34

Polar Surface Area

19.450

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

14.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

0471-0010 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 0471-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0471-0010?
Check Price and Availability of 0471-0010, 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 0471-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0471-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0471-0010
  • 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 0471-0010 available by request