C066-2835 Screening compound: 2-[(3-chlorophenyl)amino]-7-methoxyquinoline-3-carbonitrile

C066-2835 Screening compound: 2-[(3-chlorophenyl)amino]-7-methoxyquinoline-3-carbonitrile
C066-2835 Screening compound: 2-[(3-chlorophenyl)amino]-7-methoxyquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2835
2-[(3-chlorophenyl)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

C066-2835

Molecular Formula

C17H12ClN3O (C17 H12 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H12ClN3O/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

QLWLDLGZAFHVMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.75

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

4.917

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-5.01

Polar Surface Area

42.721

Acid Dissociation Constant (pKa)

15.75

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C066-2835 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

BRD4 Targeted Library (4534 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C066-2835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2835?
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What is the minimum amount of C066-2835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2835
  • 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 C066-2835 available by request