1822-0788 Screening compound: 1-chloro-4-propoxy-9H-thioxanthen-9-one

1822-0788 Screening compound: 1-chloro-4-propoxy-9H-thioxanthen-9-one
1822-0788 Screening compound: 1-chloro-4-propoxy-9H-thioxanthen-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1822-0788
1-chloro-4-propoxy-9H-thioxanthen-9-one

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

1822-0788

Molecular Formula

C16H13ClO2S (C16 H13 ClO2 S)

Compound Name

1-chloro-4-propoxy-9H-thioxanthen-9-one

IUPAC name

1-chloro-4-propoxy-9H-thioxanthen-9-one

SMILES

CCCOc(ccc(Cl)c12)c1Sc(cccc1)c1C2=O

InChI

InChI=1S/C16H13ClO2S/c1-2-9-19-12-8-7-11(17)14-15(18)10-5-3-4-6-13(10)20-16(12)14/h3-8H,2,9H2,1H3

InChI Key

VKQJCUYEEABXNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00191928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.108

Distribution Coefficient, logD

5.108

Water Solubility, LogSw

-5.62

Polar Surface Area

20.538

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

1822-0788 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

DGK Inhibitors Library (10558 compounds)

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Kinases
  • Others
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1822-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1822-0788?
Check Price and Availability of 1822-0788, 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 1822-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1822-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1822-0788
  • 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 1822-0788 available by request