8013-3307 Screening compound: 6-chloro-3-[(4-phenoxyphenyl)amino]-4-phenyl-1,2-dihydroquinolin-2-one

8013-3307 Screening compound: 6-chloro-3-[(4-phenoxyphenyl)amino]-4-phenyl-1,2-dihydroquinolin-2-one
8013-3307 Screening compound: 6-chloro-3-[(4-phenoxyphenyl)amino]-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3307
6-chloro-3-[(4-phenoxyphenyl)amino]-4-phenyl-1,2-dihydroquinolin-2-one

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

8013-3307

Molecular Formula

C27H19ClN2O2 (C27 H19 ClN2 O2)

Compound Name

6-chloro-3-[(4-phenoxyphenyl)amino]-4-phenyl-1,2-dihydroquinolin-2-one

IUPAC name

6-chloro-3-[(4-phenoxyphenyl)amino]-4-phenyl-12-dihydroquinolin-2-one

SMILES

O=C1Nc(ccc(Cl)c2)c2C(c2ccccc2)=C1Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C27H19ClN2O2/c28-19-11-16-24-23(17-19)25(18-7-3-1-4-8-18)26(27(31)30-24)29-20-12-14-22(15-13-20)32-21-9-5-2-6-10-21/h1-17,29H,(H,30,31)

InChI Key

CRQSHEJQHWDAPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03759806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.855

Distribution Coefficient, logD

6.662

Water Solubility, LogSw

-6.55

Polar Surface Area

40.704

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8013-3307 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-3307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3307?
Check Price and Availability of 8013-3307, 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 8013-3307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3307
  • 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 8013-3307 available by request