8011-8342 Screening compound: 4-(1,3-dibenzyl-1,3-diazinan-2-yl)-2-methoxyphenol

8011-8342 Screening compound: 4-(1,3-dibenzyl-1,3-diazinan-2-yl)-2-methoxyphenol
8011-8342 Screening compound: 4-(1,3-dibenzyl-1,3-diazinan-2-yl)-2-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8342
4-(1,3-dibenzyl-1,3-diazinan-2-yl)-2-methoxyphenol

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

8011-8342

Molecular Formula

C25H28N2O2 (C25 H28 N2 O2)

Compound Name

4-(1,3-dibenzyl-1,3-diazinan-2-yl)-2-methoxyphenol

IUPAC name

4-(13-dibenzyl-13-diazinan-2-yl)-2-methoxyphenol

SMILES

COc(cc(C1N(Cc2ccccc2)CCCN1Cc1ccccc1)cc1)c1O

InChI

InChI=1S/C25H28N2O2/c1-29-24-17-22(13-14-23(24)28)25-26(18-20-9-4-2-5-10-20)15-8-16-27(25)19-21-11-6-3-7-12-21/h2-7,9-14,17,25,28H,8,15-16,18-19H2,1H3

InChI Key

WUDLJKGNPMHXER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.208

Distribution Coefficient, logD

3.404

Water Solubility, LogSw

-3.96

Polar Surface Area

30.891

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

8011-8342 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8011-8342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8342?
Check Price and Availability of 8011-8342, 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 8011-8342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8342
  • 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 8011-8342 available by request