C909-0519 Screening compound: N~2~-[4-(methylsulfanyl)phenethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

C909-0519 Screening compound: N~2~-[4-(methylsulfanyl)phenethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide
C909-0519 Screening compound: N~2~-[4-(methylsulfanyl)phenethyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0519
N~2~-[4-(methylsulfanyl)phenethyl]-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

C909-0519

Molecular Formula

C21H19NO3S3 (C21 H19 NO3 S3)

Compound Name

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

IUPAC name

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

SMILES

CSc1ccc(CCNC(c2cc(CS(c3c-4cccc3)(=O)=O)c4s2)=O)cc1

InChI

InChI=1S/C21H19NO3S3/c1-26-16-8-6-14(7-9-16)10-11-22-21(23)18-12-15-13-28(24,25)19-5-3-2-4-17(19)20(15)27-18/h2-9,12H,10-11,13H2,1H3,(H,22,23)

InChI Key

YWJCXQXTJFRGHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.130

Distribution Coefficient, logD

4.130

Water Solubility, LogSw

-4.27

Polar Surface Area

53.686

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C909-0519 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C909-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0519?
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What is the minimum amount of C909-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0519
  • 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 C909-0519 available by request