C909-0438 Screening compound: N~2~-[2-(4-methylpiperazino)phenyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

C909-0438 Screening compound: N~2~-[2-(4-methylpiperazino)phenyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide
C909-0438 Screening compound: N~2~-[2-(4-methylpiperazino)phenyl]-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0438
N~2~-[2-(4-methylpiperazino)phenyl]-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

C909-0438

Molecular Formula

C23H23N3O3S2 (C23 H23 N3 O3 S2)

Compound Name

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

IUPAC name

N-[2-(4-methylpiperazin-1-yl)phenyl]-55-dioxo-4H-5lambda6-thieno[32-c]thiochromene-2-carboxamide

SMILES

CN(CC1)CCN1c(cccc1)c1NC(c1cc(CS(c2c-3cccc2)(=O)=O)c3s1)=O

InChI

InChI=1S/C23H23N3O3S2/c1-25-10-12-26(13-11-25)19-8-4-3-7-18(19)24-23(27)20-14-16-15-31(28,29)21-9-5-2-6-17(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3,(H,24,27)

InChI Key

ALXMUIMOXMBPEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.706

Distribution Coefficient, logD

3.231

Water Solubility, LogSw

-3.96

Polar Surface Area

58.453

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.09

C909-0438 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C909-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0438?
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What is the minimum amount of C909-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0438
  • 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 C909-0438 available by request