C066-2875 Screening compound: 2-[(3-fluorophenyl)amino]-7-methoxyquinoline-3-carbonitrile

C066-2875 Screening compound: 2-[(3-fluorophenyl)amino]-7-methoxyquinoline-3-carbonitrile
C066-2875 Screening compound: 2-[(3-fluorophenyl)amino]-7-methoxyquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2875
2-[(3-fluorophenyl)amino]-7-methoxyquinoline-3-carbonitrile

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

C066-2875

Molecular Formula

C17H12FN3O (C17 H12 FN3 O)

Compound Name

2-[(3-fluorophenyl)amino]-7-methoxyquinoline-3-carbonitrile

IUPAC name

2-[(3-fluorophenyl)amino]-7-methoxyquinoline-3-carbonitrile

SMILES

COc1ccc(cc(c(Nc2cccc(F)c2)n2)C#N)c2c1

InChI

InChI=1S/C17H12FN3O/c1-22-15-6-5-11-7-12(10-19)17(21-16(11)9-15)20-14-4-2-3-13(18)8-14/h2-9H,1H3,(H,20,21)

InChI Key

BIECTEVBDIYSPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.317

Distribution Coefficient, logD

4.317

Water Solubility, LogSw

-4.61

Polar Surface Area

42.721

Acid Dissociation Constant (pKa)

15.75

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C066-2875 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

CNS Targets (44014 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
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with C066-2875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2875?
Check Price and Availability of C066-2875, 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 C066-2875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2875
  • 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 C066-2875 available by request