V028-5681 Screening compound: 2-({1-[(2-fluorophenyl)methyl]-4-methyl-2-oxo-1,2-dihydroquinolin-7-yl}oxy)-N-[(pyridin-2-yl)methyl]acetamide

V028-5681 Screening compound: 2-({1-[(2-fluorophenyl)methyl]-4-methyl-2-oxo-1,2-dihydroquinolin-7-yl}oxy)-N-[(pyridin-2-yl)methyl]acetamide
V028-5681 Screening compound: 2-({1-[(2-fluorophenyl)methyl]-4-methyl-2-oxo-1,2-dihydroquinolin-7-yl}oxy)-N-[(pyridin-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-5681
2-({1-[(2-fluorophenyl)methyl]-4-methyl-2-oxo-1,2-dihydroquinolin-7-yl}oxy)-N-[(pyridin-2-yl)methyl]acetamide

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

V028-5681

Molecular Formula

C25H22FN3O3 (C25 H22 FN3 O3)

Compound Name

2-({1-[(2-fluorophenyl)methyl]-4-methyl-2-oxo-1,2-dihydroquinolin-7-yl}oxy)-N-[(pyridin-2-yl)methyl]acetamide

IUPAC name

2-({1-[(2-fluorophenyl)methyl]-4-methyl-2-oxo-12-dihydroquinolin-7-yl}oxy)-N-[(pyridin-2-yl)methyl]acetamide

SMILES

CC(c(ccc(OCC(NCc1ncccc1)=O)c1)c1N1Cc(cccc2)c2F)=CC1=O

InChI

InChI=1S/C25H22FN3O3/c1-17-12-25(31)29(15-18-6-2-3-8-22(18)26)23-13-20(9-10-21(17)23)32-16-24(30)28-14-19-7-4-5-11-27-19/h2-13H,14-16H2,1H3,(H,28,30)

InChI Key

HJGNTAQCRHJJLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284736

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.789

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-3.96

Polar Surface Area

56.861

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V028-5681 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-5681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-5681?
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What is the minimum amount of V028-5681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-5681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-5681
  • 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 V028-5681 available by request