C909-0424 Screening compound: N~2~-[3-(methylsulfanyl)phenyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

C909-0424 Screening compound: N~2~-[3-(methylsulfanyl)phenyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide
C909-0424 Screening compound: N~2~-[3-(methylsulfanyl)phenyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0424
N~2~-[3-(methylsulfanyl)phenyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

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

C909-0424

Molecular Formula

C19H15NO3S3 (C19 H15 NO3 S3)

Compound Name

N~2~-[3-(methylsulfanyl)phenyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

IUPAC name

N-[3-(methylsulfanyl)phenyl]-55-dioxo-4H-5lambda6-thieno[32-c]thiochromene-2-carboxamide

SMILES

CSc1cccc(NC(c2cc(CS(c3c-4cccc3)(=O)=O)c4s2)=O)c1

InChI

InChI=1S/C19H15NO3S3/c1-24-14-6-4-5-13(10-14)20-19(21)16-9-12-11-26(22,23)17-8-3-2-7-15(17)18(12)25-16/h2-10H,11H2,1H3,(H,20,21)

InChI Key

GYGQHCNXRCSRLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.350

Distribution Coefficient, logD

4.350

Water Solubility, LogSw

-4.38

Polar Surface Area

52.523

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C909-0424 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C909-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0424?
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What is the minimum amount of C909-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0424
  • 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 C909-0424 available by request