8011-0876 Screening compound: 2-{1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl}-4,6-dichlorophenol

8011-0876 Screening compound: 2-{1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl}-4,6-dichlorophenol
8011-0876 Screening compound: 2-{1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl}-4,6-dichlorophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0876
2-{1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl}-4,6-dichlorophenol

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

8011-0876

Molecular Formula

C26H28Cl2N2O3 (C26 H28 Cl2 N2 O3)

Compound Name

2-{1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinan-2-yl}-4,6-dichlorophenol

IUPAC name

2-{13-bis[(4-methoxyphenyl)methyl]-13-diazinan-2-yl}-46-dichlorophenol

SMILES

COc1ccc(CN2C(c3cc(Cl)cc(Cl)c3O)N(Cc(cc3)ccc3OC)CCC2)cc1

InChI

InChI=1S/C26H28Cl2N2O3/c1-32-21-8-4-18(5-9-21)16-29-12-3-13-30(17-19-6-10-22(33-2)11-7-19)26(29)23-14-20(27)15-24(28)25(23)31/h4-11,14-15,26,31H,3,12-13,16-17H2,1-2H3

InChI Key

AZDJFIIWSGLZMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02612778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.055

Distribution Coefficient, logD

6.036

Water Solubility, LogSw

-5.70

Polar Surface Area

37.279

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 8011-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0876?
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What is the minimum amount of 8011-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0876
  • 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 8011-0876 available by request