C712-0085 Screening compound: 1-(4-fluorophenyl)-4-{9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl}piperazine

C712-0085 Screening compound: 1-(4-fluorophenyl)-4-{9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl}piperazine
C712-0085 Screening compound: 1-(4-fluorophenyl)-4-{9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0085
1-(4-fluorophenyl)-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

C712-0085

Molecular Formula

C23H21FN2O2S (C23 H21 FN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OC2)c1-c1c2cc(C(N(CC2)CCN2c(cc2)ccc2F)=O)s1

InChI

InChI=1S/C23H21FN2O2S/c1-15-3-2-4-19-21(15)22-16(14-28-19)13-20(29-22)23(27)26-11-9-25(10-12-26)18-7-5-17(24)6-8-18/h2-8,13H,9-12,14H2,1H3

InChI Key

PDYJZFVXIOCEEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

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

4.729

Distribution Coefficient, logD

4.729

Water Solubility, LogSw

-4.78

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

26.10

C712-0085 in Drug Discovery

Included in Screening Libraries

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 C712-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0085?
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What is the minimum amount of C712-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0085
  • 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 C712-0085 available by request