8016-1398 Screening compound: 2-chloro-N-(9-oxo-9H-thioxanthen-2-yl)benzamide

8016-1398 Screening compound: 2-chloro-N-(9-oxo-9H-thioxanthen-2-yl)benzamide
8016-1398 Screening compound: 2-chloro-N-(9-oxo-9H-thioxanthen-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1398
2-chloro-N-(9-oxo-9H-thioxanthen-2-yl)benzamide

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

8016-1398

Molecular Formula

C20H12ClNO2S (C20 H12 ClNO2 S)

Compound Name

2-chloro-N-(9-oxo-9H-thioxanthen-2-yl)benzamide

IUPAC name

2-chloro-N-(9-oxo-9H-thioxanthen-2-yl)benzamide

SMILES

O=C(c(cccc1)c1Cl)Nc(cc1)cc2c1Sc(cccc1)c1C2=O

InChI

InChI=1S/C20H12ClNO2S/c21-16-7-3-1-5-13(16)20(24)22-12-9-10-18-15(11-12)19(23)14-6-2-4-8-17(14)25-18/h1-11H,(H,22,24)

InChI Key

GDNFHTMLVHWAQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02187367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.527

Distribution Coefficient, logD

5.523

Water Solubility, LogSw

-5.96

Polar Surface Area

36.125

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8016-1398 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-1398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1398?
Check Price and Availability of 8016-1398, 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 8016-1398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1398
  • 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 8016-1398 available by request