4550-6428 Screening compound: 2,6-di-tert-butyl-4-[(4-methylpiperidin-1-yl)(pyridin-2-yl)methyl]phenol

4550-6428 Screening compound: 2,6-di-tert-butyl-4-[(4-methylpiperidin-1-yl)(pyridin-2-yl)methyl]phenol
4550-6428 Screening compound: 2,6-di-tert-butyl-4-[(4-methylpiperidin-1-yl)(pyridin-2-yl)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4550-6428
2,6-di-tert-butyl-4-[(4-methylpiperidin-1-yl)(pyridin-2-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

4550-6428

Molecular Formula

C26H38N2O (C26 H38 N2 O)

Compound Name

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

IUPAC name

26-di-tert-butyl-4-[(4-methylpiperidin-1-yl)(pyridin-2-yl)methyl]phenol

SMILES

CC(CC1)CCN1C(c(cc1C(C)(C)C)cc(C(C)(C)C)c1O)c1ncccc1

InChI

InChI=1S/C26H38N2O/c1-18-11-14-28(15-12-18)23(22-10-8-9-13-27-22)19-16-20(25(2,3)4)24(29)21(17-19)26(5,6)7/h8-10,13,16-18,23,29H,11-12,14-15H2,1-7H3/t23-/m0/s1

InChI Key

UXXHOPRBEMDSNW-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02718470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.181

Distribution Coefficient, logD

1.717

Water Solubility, LogSw

-5.74

Polar Surface Area

27.519

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

12.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.70

4550-6428 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4550-6428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4550-6428?
Check Price and Availability of 4550-6428, 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 4550-6428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4550-6428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4550-6428
  • 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 4550-6428 available by request