C593-1215 Screening compound: 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-8-methyl-4H-thieno[3,2-c]chromen-4-one

C593-1215 Screening compound: 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-8-methyl-4H-thieno[3,2-c]chromen-4-one
C593-1215 Screening compound: 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-8-methyl-4H-thieno[3,2-c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1215
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-8-methyl-4H-thieno[3,2-c]chromen-4-one

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

C593-1215

Molecular Formula

C22H18N2O5S (C22 H18 N2 O5 S)

Compound Name

2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-8-methyl-4H-thieno[3,2-c]chromen-4-one

IUPAC name

2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-8-methyl-4H-thieno[32-c]chromen-4-one

SMILES

Cc(cc1)cc(-c2c3cc(C(N(CC4)CCN4C(c4ccco4)=O)=O)s2)c1OC3=O

InChI

InChI=1S/C22H18N2O5S/c1-13-4-5-16-14(11-13)19-15(22(27)29-16)12-18(30-19)21(26)24-8-6-23(7-9-24)20(25)17-3-2-10-28-17/h2-5,10-12H,6-9H2,1H3

InChI Key

GGOUALDSHVBDQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.209

Distribution Coefficient, logD

3.209

Water Solubility, LogSw

-3.36

Polar Surface Area

63.590

Acid Dissociation Constant (pKa)

28.86

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C593-1215 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 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

References: we are preparing a list of scientific research reports with C593-1215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1215?
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What is the minimum amount of C593-1215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1215
  • 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 C593-1215 available by request