C909-0320 Screening compound: 2-{[4-(2-pyridyl)piperazino]carbonyl}-5lambda~6~-thieno[3,2-c]thiochromene-5,5(4H)-dione

C909-0320 Screening compound: 2-{[4-(2-pyridyl)piperazino]carbonyl}-5lambda~6~-thieno[3,2-c]thiochromene-5,5(4H)-dione
C909-0320 Screening compound: 2-{[4-(2-pyridyl)piperazino]carbonyl}-5lambda~6~-thieno[3,2-c]thiochromene-5,5(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0320
2-{[4-(2-pyridyl)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

C909-0320

Molecular Formula

C21H19N3O3S2 (C21 H19 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(CS(c2c-3cccc2)(=O)=O)c3s1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C21H19N3O3S2/c25-21(24-11-9-23(10-12-24)19-7-3-4-8-22-19)17-13-15-14-29(26,27)18-6-2-1-5-16(18)20(15)28-17/h1-8,13H,9-12,14H2

InChI Key

CJXVAHYWYFQGLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

3.443

Water Solubility, LogSw

-3.73

Polar Surface Area

57.851

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C909-0320 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C909-0320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0320?
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What is the minimum amount of C909-0320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0320
  • 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 C909-0320 available by request