4695-2458 Screening compound: 2-[4-(benzyloxy)phenyl]-2-oxoethyl 2-phenylquinoline-4-carboxylate

4695-2458 Screening compound: 2-[4-(benzyloxy)phenyl]-2-oxoethyl 2-phenylquinoline-4-carboxylate
4695-2458 Screening compound: 2-[4-(benzyloxy)phenyl]-2-oxoethyl 2-phenylquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4695-2458
2-[4-(benzyloxy)phenyl]-2-oxoethyl 2-phenylquinoline-4-carboxylate

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

4695-2458

Molecular Formula

C31H23NO4 (C31 H23 NO4)

Compound Name

2-[4-(benzyloxy)phenyl]-2-oxoethyl 2-phenylquinoline-4-carboxylate

IUPAC name

2-[4-(benzyloxy)phenyl]-2-oxoethyl 2-phenylquinoline-4-carboxylate

SMILES

O=C(COC(c1cc(-c2ccccc2)nc2ccccc12)=O)c(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C31H23NO4/c33-30(24-15-17-25(18-16-24)35-20-22-9-3-1-4-10-22)21-36-31(34)27-19-29(23-11-5-2-6-12-23)32-28-14-8-7-13-26(27)28/h1-19H,20-21H2

InChI Key

CGKNXXJQGGYZSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02376051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.887

Distribution Coefficient, logD

6.886

Water Solubility, LogSw

-6.48

Polar Surface Area

49.630

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.50

4695-2458 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4695-2458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4695-2458?
Check Price and Availability of 4695-2458, 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 4695-2458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4695-2458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4695-2458
  • 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 4695-2458 available by request