8018-1266 Screening compound: {2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]amine

8018-1266 Screening compound: {2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]amine
8018-1266 Screening compound: {2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1266
{2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]amine

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

8018-1266

Molecular Formula

C20H33NO2 (C20 H33 NO2)

Compound Name

{2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]amine

IUPAC name

{2-[22-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}[(4-methoxyphenyl)methyl]amine

SMILES

CC(C)C1(CCNCc(cc2)ccc2OC)CC(C)(C)OCC1

InChI

InChI=1S/C20H33NO2/c1-16(2)20(11-13-23-19(3,4)15-20)10-12-21-14-17-6-8-18(22-5)9-7-17/h6-9,16,21H,10-15H2,1-5H3/t20-/m0/s1

InChI Key

BKIXVSLKBOMXIY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD04144816

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

319.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.674

Distribution Coefficient, logD

2.949

Water Solubility, LogSw

-3.84

Polar Surface Area

26.781

Acid Dissociation Constant (pKa)

27.31

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

8018-1266 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8018-1266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1266?
Check Price and Availability of 8018-1266, 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 8018-1266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1266
  • 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 8018-1266 available by request