F460-0453 Screening compound: ethyl 4-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethoxy]-2-phenylquinoline-6-carboxylate

F460-0453 Screening compound: ethyl 4-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethoxy]-2-phenylquinoline-6-carboxylate
F460-0453 Screening compound: ethyl 4-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethoxy]-2-phenylquinoline-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F460-0453
ethyl 4-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethoxy]-2-phenylquinoline-6-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

F460-0453

Molecular Formula

C29H26N2O5 (C29 H26 N2 O5)

Compound Name

ethyl 4-[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethoxy]-2-phenylquinoline-6-carboxylate

IUPAC name

ethyl 4-[2-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-oxoethoxy]-2-phenylquinoline-6-carboxylate

SMILES

CCOC(c(ccc1nc(-c2ccccc2)c2)cc1c2OCC(N1c(cc(C)cc2)c2OCC1)=O)=O

InChI

InChI=1S/C29H26N2O5/c1-3-34-29(33)21-10-11-23-22(16-21)27(17-24(30-23)20-7-5-4-6-8-20)36-18-28(32)31-13-14-35-26-12-9-19(2)15-25(26)31/h4-12,15-17H,3,13-14,18H2,1-2H3

InChI Key

GXJMSYPISSBIPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27130756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.083

Distribution Coefficient, logD

6.083

Water Solubility, LogSw

-5.56

Polar Surface Area

59.374

Acid Dissociation Constant (pKa)

21.49

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

F460-0453 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system

References: we are preparing a list of scientific research reports with F460-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F460-0453?
Check Price and Availability of F460-0453, 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 F460-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F460-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F460-0453
  • 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 F460-0453 available by request