C066-3328 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C066-3328 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
C066-3328 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3328
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-9-methyl-4H-thieno[3,2-c]chromene-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

C066-3328

Molecular Formula

C26H28ClN3O2S (C26 H28 ClN3 O2 S)

Compound Name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-9-methyl-4H-thieno[32-c]chromene-2-carboxamide

SMILES

Cc1cccc(OC2)c1-c1c2cc(C(NCCCN(CC2)CCN2c2cccc(Cl)c2)=O)s1

InChI

InChI=1S/C26H28ClN3O2S/c1-18-5-2-8-22-24(18)25-19(17-32-22)15-23(33-25)26(31)28-9-4-10-29-11-13-30(14-12-29)21-7-3-6-20(27)16-21/h2-3,5-8,15-16H,4,9-14,17H2,1H3,(H,28,31)

InChI Key

DYGDEULCDTUUNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.05

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.781

Distribution Coefficient, logD

4.238

Water Solubility, LogSw

-4.98

Polar Surface Area

40.853

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C066-3328 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Adenosine Receptors Targeted Library (19896 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C066-3328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3328?
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What is the minimum amount of C066-3328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3328
  • 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 C066-3328 available by request