5194-0527 Screening compound: 2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid

5194-0527 Screening compound: 2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
5194-0527 Screening compound: 2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5194-0527
2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid

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

5194-0527

Molecular Formula

C14H9NO5S2 (C14 H9 NO5 S2)

Compound Name

2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid

IUPAC name

915-dioxo-8-oxa-1216-dithia-14-azatetracyclo[8.7.0.0^{27}.0^{1317}]heptadeca-24613(17)-tetraene-11-carboxylic acid

SMILES

OC(C(C(C1c(cccc2)c2O2)C2=O)SC(N2)=C1SC2=O)=O

InChI

InChI=1S/C14H9NO5S2/c16-12(17)10-8-7(9-11(21-10)15-14(19)22-9)5-3-1-2-4-6(5)20-13(8)18/h1-4,7-8,10H,(H,15,19)(H,16,17)

InChI Key

OKWDWXQSIUNHER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02980706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.504

Distribution Coefficient, logD

-0.917

Water Solubility, LogSw

-2.02

Polar Surface Area

72.552

Acid Dissociation Constant (pKa)

4.98

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.40

5194-0527 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5194-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5194-0527?
Check Price and Availability of 5194-0527, 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 5194-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5194-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5194-0527
  • 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 5194-0527 available by request