F390-0596 Screening compound: 2-(3,4-dimethoxybenzoyl)-6-fluoro-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione

F390-0596 Screening compound: 2-(3,4-dimethoxybenzoyl)-6-fluoro-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
F390-0596 Screening compound: 2-(3,4-dimethoxybenzoyl)-6-fluoro-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F390-0596
2-(3,4-dimethoxybenzoyl)-6-fluoro-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione

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

F390-0596

Molecular Formula

C24H20FNO5S2 (C24 H20 FNO5 S2)

Compound Name

2-(3,4-dimethoxybenzoyl)-6-fluoro-4-[3-(methylsulfanyl)phenyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione

IUPAC name

2-(34-dimethoxybenzoyl)-6-fluoro-4-[3-(methylsulfanyl)phenyl]-4H-1lambda64-benzothiazine-11-dione

SMILES

COc(ccc(C(C1=CN(c2cc(SC)ccc2)c(cc(cc2)F)c2S1(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C24H20FNO5S2/c1-30-20-9-7-15(11-21(20)31-2)24(27)23-14-26(17-5-4-6-18(13-17)32-3)19-12-16(25)8-10-22(19)33(23,28)29/h4-14H,1-3H3

InChI Key

ZQCUCIIWMSNYLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-4.26

Polar Surface Area

59.678

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

F390-0596 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with F390-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F390-0596?
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What is the minimum amount of F390-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F390-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F390-0596
  • 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 F390-0596 available by request