C909-0480 Screening compound: N~2~-(2,5-difluorophenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

C909-0480 Screening compound: N~2~-(2,5-difluorophenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide
C909-0480 Screening compound: N~2~-(2,5-difluorophenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0480
N~2~-(2,5-difluorophenyl)-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

C909-0480

Molecular Formula

C18H11F2NO3S2 (C18 H11 F2 NO3 S2)

Compound Name

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

IUPAC name

N-(25-difluorophenyl)-55-dioxo-4H-5lambda6-thieno[32-c]thiochromene-2-carboxamide

SMILES

O=C(c1cc(CS(c2c-3cccc2)(=O)=O)c3s1)Nc(cc(cc1)F)c1F

InChI

InChI=1S/C18H11F2NO3S2/c19-11-5-6-13(20)14(8-11)21-18(22)15-7-10-9-26(23,24)16-4-2-1-3-12(16)17(10)25-15/h1-8H,9H2,(H,21,22)

InChI Key

LTPDOXQGUUESLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.246

Water Solubility, LogSw

-4.37

Polar Surface Area

51.825

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C909-0480 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 C909-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0480?
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What is the minimum amount of C909-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0480
  • 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 C909-0480 available by request