C066-3226 Screening compound: 1-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-carbonyl}-4-(2-fluorophenyl)piperazine

C066-3226 Screening compound: 1-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-carbonyl}-4-(2-fluorophenyl)piperazine
C066-3226 Screening compound: 1-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-carbonyl}-4-(2-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3226
1-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-carbonyl}-4-(2-fluorophenyl)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

C066-3226

Molecular Formula

C23H21ClFN3O (C23 H21 ClFN3 O)

Compound Name

1-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-carbonyl}-4-(2-fluorophenyl)piperazine

IUPAC name

1-{9-chloro-1H2H3H-cyclopenta[b]quinoline-6-carbonyl}-4-(2-fluorophenyl)piperazine

SMILES

O=C(c1ccc2c(Cl)c(CCC3)c3nc2c1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C23H21ClFN3O/c24-22-16-4-3-6-19(16)26-20-14-15(8-9-17(20)22)23(29)28-12-10-27(11-13-28)21-7-2-1-5-18(21)25/h1-2,5,7-9,14H,3-4,6,10-13H2

InChI Key

PGVCLRNACYURAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.89

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

4.733

Distribution Coefficient, logD

4.725

Water Solubility, LogSw

-5.18

Polar Surface Area

29.964

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C066-3226 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C066-3226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3226?
Check Price and Availability of C066-3226, 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 C066-3226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3226
  • 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 C066-3226 available by request