C909-0291 Screening compound: 1-[(5,5-dioxido-4H-thieno[3,2-c]thiochromen-2-yl)carbonyl]-4-phenylpiperazine

C909-0291 Screening compound: 1-[(5,5-dioxido-4H-thieno[3,2-c]thiochromen-2-yl)carbonyl]-4-phenylpiperazine
C909-0291 Screening compound: 1-[(5,5-dioxido-4H-thieno[3,2-c]thiochromen-2-yl)carbonyl]-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0291
1-[(5,5-dioxido-4H-thieno[3,2-c]thiochromen-2-yl)carbonyl]-4-phenylpiperazine

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

C909-0291

Molecular Formula

C22H20N2O3S2 (C22 H20 N2 O3 S2)

Compound Name

1-[(5,5-dioxido-4H-thieno[3,2-c]thiochromen-2-yl)carbonyl]-4-phenylpiperazine

IUPAC name

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

SMILES

O=C(c1cc(CS(c2c-3cccc2)(=O)=O)c3s1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C22H20N2O3S2/c25-22(24-12-10-23(11-13-24)17-6-2-1-3-7-17)19-14-16-15-29(26,27)20-9-5-4-8-18(20)21(16)28-19/h1-9,14H,10-13,15H2

InChI Key

YAQWFYMHGFAGNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.784

Distribution Coefficient, logD

3.784

Water Solubility, LogSw

-4.02

Polar Surface Area

49.340

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C909-0291 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C909-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0291?
Check Price and Availability of C909-0291, 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 C909-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0291
  • 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 C909-0291 available by request