C712-0218 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C712-0218 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
C712-0218 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0218
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-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

C712-0218

Molecular Formula

C25H26FN3O2S (C25 H26 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OC2)c1-c1c2cc(C(NCCN(CC2)CCN2c(cccc2)c2F)=O)s1

InChI

InChI=1S/C25H26FN3O2S/c1-17-5-4-8-21-23(17)24-18(16-31-21)15-22(32-24)25(30)27-9-10-28-11-13-29(14-12-28)20-7-3-2-6-19(20)26/h2-8,15H,9-14,16H2,1H3,(H,27,30)

InChI Key

FDKDXKWWHNUUIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.253

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.31

Polar Surface Area

40.552

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C712-0218 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 C712-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0218?
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What is the minimum amount of C712-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0218
  • 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 C712-0218 available by request