C593-1081 Screening compound: 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-8-methyl-4H-thieno[3,2-c]chromen-4-one

C593-1081 Screening compound: 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-8-methyl-4H-thieno[3,2-c]chromen-4-one
C593-1081 Screening compound: 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-8-methyl-4H-thieno[3,2-c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1081
2-[4-(2-methoxyphenyl)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

C593-1081

Molecular Formula

C24H22N2O4S (C24 H22 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(-c2c3cc(C(N(CC4)CCN4c(cccc4)c4OC)=O)s2)c1OC3=O

InChI

InChI=1S/C24H22N2O4S/c1-15-7-8-19-16(13-15)22-17(24(28)30-19)14-21(31-22)23(27)26-11-9-25(10-12-26)18-5-3-4-6-20(18)29-2/h3-8,13-14H,9-12H2,1-2H3

InChI Key

BBYVYXWBCSEEPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.637

Distribution Coefficient, logD

4.637

Water Solubility, LogSw

-4.48

Polar Surface Area

49.145

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C593-1081 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Receptors Annotated Library (5376 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

References: we are preparing a list of scientific research reports with C593-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1081?
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What is the minimum amount of C593-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1081
  • 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 C593-1081 available by request