C909-0329 Screening compound: 2-[(4-ethylpiperazino)carbonyl]-5lambda~6~-thieno[3,2-c]thiochromene-5,5(4H)-dione

C909-0329 Screening compound: 2-[(4-ethylpiperazino)carbonyl]-5lambda~6~-thieno[3,2-c]thiochromene-5,5(4H)-dione
C909-0329 Screening compound: 2-[(4-ethylpiperazino)carbonyl]-5lambda~6~-thieno[3,2-c]thiochromene-5,5(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0329
2-[(4-ethylpiperazino)carbonyl]-5lambda~6~-thieno[3,2-c]thiochromene-5,5(4H)-dione

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

C909-0329

Molecular Formula

C18H20N2O3S2 (C18 H20 N2 O3 S2)

Compound Name

2-[(4-ethylpiperazino)carbonyl]-5lambda~6~-thieno[3,2-c]thiochromene-5,5(4H)-dione

IUPAC name

2-(4-ethylpiperazine-1-carbonyl)-4H-5lambda6-thieno[32-c]thiochromene-55-dione

SMILES

CCN(CC1)CCN1C(c1cc(CS(c2c-3cccc2)(=O)=O)c3s1)=O

InChI

InChI=1S/C18H20N2O3S2/c1-2-19-7-9-20(10-8-19)18(21)15-11-13-12-25(22,23)16-6-4-3-5-14(16)17(13)24-15/h3-6,11H,2,7-10,12H2,1H3

InChI Key

GYAVZBXKFUWELR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.312

Distribution Coefficient, logD

2.142

Water Solubility, LogSw

-2.82

Polar Surface Area

49.617

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C909-0329 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C909-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0329?
Check Price and Availability of C909-0329, 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 C909-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0329
  • 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 C909-0329 available by request