C909-0290 Screening compound: 2-{[4-(4-nitrophenyl)piperazino]carbonyl}-5lambda~6~-thieno[3,2-c]thiochromene-5,5(4H)-dione

C909-0290 Screening compound: 2-{[4-(4-nitrophenyl)piperazino]carbonyl}-5lambda~6~-thieno[3,2-c]thiochromene-5,5(4H)-dione
C909-0290 Screening compound: 2-{[4-(4-nitrophenyl)piperazino]carbonyl}-5lambda~6~-thieno[3,2-c]thiochromene-5,5(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0290
2-{[4-(4-nitrophenyl)piperazino]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

C909-0290

Molecular Formula

C22H19N3O5S2 (C22 H19 N3 O5 S2)

Compound Name

2-{[4-(4-nitrophenyl)piperazino]carbonyl}-5lambda~6~-thieno[3,2-c]thiochromene-5,5(4H)-dione

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(c1cc(CS(c2c-3cccc2)(=O)=O)c3s1)=O)=O

InChI

InChI=1S/C22H19N3O5S2/c26-22(24-11-9-23(10-12-24)16-5-7-17(8-6-16)25(27)28)19-13-15-14-32(29,30)20-4-2-1-3-18(20)21(15)31-19/h1-8,13H,9-12,14H2

InChI Key

IDHRQRYTATWIIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.831

Distribution Coefficient, logD

3.831

Water Solubility, LogSw

-4.04

Polar Surface Area

82.722

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C909-0290 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 C909-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0290?
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What is the minimum amount of C909-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0290
  • 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 C909-0290 available by request