C712-1114 Screening compound: 1-(4-fluorophenyl)-4-{4H-thieno[3,2-c]chromene-2-carbonyl}piperazine

C712-1114 Screening compound: 1-(4-fluorophenyl)-4-{4H-thieno[3,2-c]chromene-2-carbonyl}piperazine
C712-1114 Screening compound: 1-(4-fluorophenyl)-4-{4H-thieno[3,2-c]chromene-2-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-1114
1-(4-fluorophenyl)-4-{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

C712-1114

Molecular Formula

C22H19FN2O2S (C22 H19 FN2 O2 S)

Compound Name

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

IUPAC name

1-(4-fluorophenyl)-4-{4H-thieno[32-c]chromene-2-carbonyl}piperazine

SMILES

O=C(c1cc(COc2c-3cccc2)c3s1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C22H19FN2O2S/c23-16-5-7-17(8-6-16)24-9-11-25(12-10-24)22(26)20-13-15-14-27-19-4-2-1-3-18(19)21(15)28-20/h1-8,13H,9-12,14H2

InChI Key

OPHQGUWFNHXLHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

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

4.415

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-4.36

Polar Surface Area

29.264

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C712-1114 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C712-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-1114?
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What is the minimum amount of C712-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-1114
  • 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 C712-1114 available by request