8013-6937 Screening compound: [4-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl]methyl phenyl ether

8013-6937 Screening compound: [4-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl]methyl phenyl ether
8013-6937 Screening compound: [4-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl]methyl phenyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6937
[4-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl]methyl phenyl ether

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

8013-6937

Molecular Formula

C22H19Cl2N3O (C22 H19 Cl2 N3 O)

Compound Name

[4-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl]methyl phenyl ether

IUPAC name

6-(34-dichlorophenyl)-2-(phenoxymethyl)-134-triazatricyclo[5.4.1.0^{412}]dodeca-257(12)-triene

SMILES

Clc(ccc(-c1cn2nc(COc3ccccc3)n3c2c1CCCC3)c1)c1Cl

InChI

InChI=1S/C22H19Cl2N3O/c23-19-10-9-15(12-20(19)24)18-13-27-22-17(18)8-4-5-11-26(22)21(25-27)14-28-16-6-2-1-3-7-16/h1-3,6-7,9-10,12-13H,4-5,8,11,14H2

InChI Key

KOFWAXGSIYKENZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03460411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.478

Distribution Coefficient, logD

6.478

Water Solubility, LogSw

-6.54

Polar Surface Area

23.499

Acid Dissociation Constant (pKa)

25.40

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

References: we are preparing a list of scientific research reports with 8013-6937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6937?
Check Price and Availability of 8013-6937, 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 8013-6937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6937
  • 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 8013-6937 available by request