C712-0044 Screening compound: 1-(3-chlorophenyl)-4-{9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl}piperazine

C712-0044 Screening compound: 1-(3-chlorophenyl)-4-{9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl}piperazine
C712-0044 Screening compound: 1-(3-chlorophenyl)-4-{9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0044
1-(3-chlorophenyl)-4-{9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl}piperazine

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

C712-0044

Molecular Formula

C23H21ClN2O2S (C23 H21 ClN2 O2 S)

Compound Name

1-(3-chlorophenyl)-4-{9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl}piperazine

IUPAC name

1-(3-chlorophenyl)-4-{9-methyl-4H-thieno[32-c]chromene-2-carbonyl}piperazine

SMILES

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

InChI

InChI=1S/C23H21ClN2O2S/c1-15-4-2-7-19-21(15)22-16(14-28-19)12-20(29-22)23(27)26-10-8-25(9-11-26)18-6-3-5-17(24)13-18/h2-7,12-13H,8-11,14H2,1H3

InChI Key

PWWNJVQQLIZPHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.95

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.162

Distribution Coefficient, logD

5.162

Water Solubility, LogSw

-5.72

Polar Surface Area

29.264

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C712-0044 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

Selective Target Activity Profiling Library (14702 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
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C712-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0044?
Check Price and Availability of C712-0044, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C712-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0044
  • 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 C712-0044 available by request