C614-0125 Screening compound: 2-{[4-(benzyloxy)phenyl]amino}-4-methylquinolin-5-ol

C614-0125 Screening compound: 2-{[4-(benzyloxy)phenyl]amino}-4-methylquinolin-5-ol
C614-0125 Screening compound: 2-{[4-(benzyloxy)phenyl]amino}-4-methylquinolin-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0125
2-{[4-(benzyloxy)phenyl]amino}-4-methylquinolin-5-ol

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

C614-0125

Molecular Formula

C23H20N2O2 (C23 H20 N2 O2)

Compound Name

2-{[4-(benzyloxy)phenyl]amino}-4-methylquinolin-5-ol

IUPAC name

2-{[4-(benzyloxy)phenyl]amino}-4-methylquinolin-5-ol

SMILES

Cc1cc(Nc(cc2)ccc2OCc2ccccc2)nc2cccc(O)c12

InChI

InChI=1S/C23H20N2O2/c1-16-14-22(25-20-8-5-9-21(26)23(16)20)24-18-10-12-19(13-11-18)27-15-17-6-3-2-4-7-17/h2-14,26H,15H2,1H3,(H,24,25)

InChI Key

NDVWQIDWPYYCIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776067

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

356.42

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

6.048

Distribution Coefficient, logD

6.037

Water Solubility, LogSw

-5.85

Polar Surface Area

41.824

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C614-0125 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C614-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0125?
Check Price and Availability of C614-0125, 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 C614-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0125
  • 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 C614-0125 available by request