8012-5234 Screening compound: 6-(4-chlorophenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline

8012-5234 Screening compound: 6-(4-chlorophenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline
8012-5234 Screening compound: 6-(4-chlorophenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5234
6-(4-chlorophenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline

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

8012-5234

Molecular Formula

C17H16ClNO2 (C17 H16 ClNO2)

Compound Name

6-(4-chlorophenyl)-2H,3H,6H,7H,8H,9H-[1,4]dioxino[2,3-g]isoquinoline

IUPAC name

6-(4-chlorophenyl)-2H3H6H7H8H9H-[14]dioxino[23-g]isoquinoline

SMILES

Clc1ccc(C2NCCc3c2cc2OCCOc2c3)cc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

301.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.888

Distribution Coefficient, logD

0.245

Water Solubility, LogSw

-2.84

Polar Surface Area

27.981

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.41

8012-5234 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

CNS BBB Library (22607 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-5234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5234?
Check Price and Availability of 8012-5234, 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 8012-5234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5234
  • 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 8012-5234 available by request