C909-0454 Screening compound: N~2~-(2-cyanophenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

C909-0454 Screening compound: N~2~-(2-cyanophenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide
C909-0454 Screening compound: N~2~-(2-cyanophenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0454
N~2~-(2-cyanophenyl)-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

C909-0454

Molecular Formula

C19H12N2O3S2 (C19 H12 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(cccc1)c1NC(c1cc(CS(c2c-3cccc2)(=O)=O)c3s1)=O

InChI

InChI=1S/C19H12N2O3S2/c20-10-12-5-1-3-7-15(12)21-19(22)16-9-13-11-26(23,24)17-8-4-2-6-14(17)18(13)25-16/h1-9H,11H2,(H,21,22)

InChI Key

NJZVBHSUXKGPLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.87

Polar Surface Area

68.881

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

-5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

C909-0454 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C909-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0454?
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What is the minimum amount of C909-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0454
  • 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 C909-0454 available by request