F460-0462 Screening compound: ethyl 4-({[2-(4-chlorophenyl)ethyl]carbamoyl}methoxy)-2-phenylquinoline-6-carboxylate

F460-0462 Screening compound: ethyl 4-({[2-(4-chlorophenyl)ethyl]carbamoyl}methoxy)-2-phenylquinoline-6-carboxylate
F460-0462 Screening compound: ethyl 4-({[2-(4-chlorophenyl)ethyl]carbamoyl}methoxy)-2-phenylquinoline-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F460-0462
ethyl 4-({[2-(4-chlorophenyl)ethyl]carbamoyl}methoxy)-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

F460-0462

Molecular Formula

C28H25ClN2O4 (C28 H25 ClN2 O4)

Compound Name

ethyl 4-({[2-(4-chlorophenyl)ethyl]carbamoyl}methoxy)-2-phenylquinoline-6-carboxylate

IUPAC name

ethyl 4-({[2-(4-chlorophenyl)ethyl]carbamoyl}methoxy)-2-phenylquinoline-6-carboxylate

SMILES

CCOC(c(cc1c(OCC(NCCc(cc2)ccc2Cl)=O)c2)ccc1nc2-c1ccccc1)=O

InChI

InChI=1S/C28H25ClN2O4/c1-2-34-28(33)21-10-13-24-23(16-21)26(17-25(31-24)20-6-4-3-5-7-20)35-18-27(32)30-15-14-19-8-11-22(29)12-9-19/h3-13,16-17H,2,14-15,18H2,1H3,(H,30,32)

InChI Key

HZQVAZGVNUTNNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14955147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.956

Distribution Coefficient, logD

5.956

Water Solubility, LogSw

-6.11

Polar Surface Area

60.678

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

F460-0462 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with F460-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F460-0462?
Check Price and Availability of F460-0462, 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 F460-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F460-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F460-0462
  • 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 F460-0462 available by request