F418-0581 Screening compound: 3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1-methyl-7-(4-methylpiperidin-1-yl)-1,4-dihydroquinolin-4-one

F418-0581 Screening compound: 3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1-methyl-7-(4-methylpiperidin-1-yl)-1,4-dihydroquinolin-4-one
F418-0581 Screening compound: 3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1-methyl-7-(4-methylpiperidin-1-yl)-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F418-0581
3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1-methyl-7-(4-methylpiperidin-1-yl)-1,4-dihydroquinolin-4-one

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

F418-0581

Molecular Formula

C26H27FN4O4 (C26 H27 FN4 O4)

Compound Name

3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1-methyl-7-(4-methylpiperidin-1-yl)-1,4-dihydroquinolin-4-one

IUPAC name

3-[3-(24-dimethoxyphenyl)-124-oxadiazol-5-yl]-6-fluoro-1-methyl-7-(4-methylpiperidin-1-yl)-14-dihydroquinolin-4-one

SMILES

CC(CC1)CCN1c(cc(c1c2)N(C)C=C(c3nc(-c(ccc(OC)c4)c4OC)no3)C1=O)c2F

InChI

InChI=1S/C26H27FN4O4/c1-15-7-9-31(10-8-15)22-13-21-18(12-20(22)27)24(32)19(14-30(21)2)26-28-25(29-35-26)17-6-5-16(33-3)11-23(17)34-4/h5-6,11-15H,7-10H2,1-4H3

InChI Key

WRHIMNCCIYESTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27126311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.226

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.41

Polar Surface Area

65.281

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

F418-0581 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 F418-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F418-0581?
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What is the minimum amount of F418-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F418-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F418-0581
  • 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 F418-0581 available by request