E599-0341 Screening compound: 7-(azepan-1-yl)-3-(2,4-dimethylbenzenesulfonyl)-6-fluoro-1-methyl-1,4-dihydroquinolin-4-one

E599-0341 Screening compound: 7-(azepan-1-yl)-3-(2,4-dimethylbenzenesulfonyl)-6-fluoro-1-methyl-1,4-dihydroquinolin-4-one
E599-0341 Screening compound: 7-(azepan-1-yl)-3-(2,4-dimethylbenzenesulfonyl)-6-fluoro-1-methyl-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E599-0341
7-(azepan-1-yl)-3-(2,4-dimethylbenzenesulfonyl)-6-fluoro-1-methyl-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

E599-0341

Molecular Formula

C24H27FN2O3S (C24 H27 FN2 O3 S)

Compound Name

7-(azepan-1-yl)-3-(2,4-dimethylbenzenesulfonyl)-6-fluoro-1-methyl-1,4-dihydroquinolin-4-one

IUPAC name

7-(azepan-1-yl)-3-(24-dimethylbenzenesulfonyl)-6-fluoro-1-methyl-14-dihydroquinolin-4-one

SMILES

Cc(cc1)cc(C)c1S(C1=CN(C)c(cc(c(F)c2)N3CCCCCC3)c2C1=O)(=O)=O

InChI

InChI=1S/C24H27FN2O3S/c1-16-8-9-22(17(2)12-16)31(29,30)23-15-26(3)20-14-21(19(25)13-18(20)24(23)28)27-10-6-4-5-7-11-27/h8-9,12-15H,4-7,10-11H2,1-3H3

InChI Key

ORAZHUMVVYHFOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14902862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.422

Distribution Coefficient, logD

4.422

Water Solubility, LogSw

-4.31

Polar Surface Area

48.533

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E599-0341 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 E599-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E599-0341?
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What is the minimum amount of E599-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E599-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E599-0341
  • 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 E599-0341 available by request