C909-0518 Screening compound: N~2~-(2,5-dimethoxyphenethyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

C909-0518 Screening compound: N~2~-(2,5-dimethoxyphenethyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide
C909-0518 Screening compound: N~2~-(2,5-dimethoxyphenethyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0518
N~2~-(2,5-dimethoxyphenethyl)-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

C909-0518

Molecular Formula

C22H21NO5S2 (C22 H21 NO5 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc(CCNC(c2cc(CS(c3c-4cccc3)(=O)=O)c4s2)=O)c1OC

InChI

InChI=1S/C22H21NO5S2/c1-27-16-7-8-18(28-2)14(11-16)9-10-23-22(24)19-12-15-13-30(25,26)20-6-4-3-5-17(20)21(15)29-19/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,24)

InChI Key

OSWWZOBMCWGSGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.761

Distribution Coefficient, logD

3.761

Water Solubility, LogSw

-4.04

Polar Surface Area

68.861

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C909-0518 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C909-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0518?
Check Price and Availability of C909-0518, 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 C909-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0518
  • 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 C909-0518 available by request