F390-0539 Screening compound: 4-(3-chloro-4-methylphenyl)-2-(4-ethoxybenzoyl)-6-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione

F390-0539 Screening compound: 4-(3-chloro-4-methylphenyl)-2-(4-ethoxybenzoyl)-6-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione
F390-0539 Screening compound: 4-(3-chloro-4-methylphenyl)-2-(4-ethoxybenzoyl)-6-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F390-0539
4-(3-chloro-4-methylphenyl)-2-(4-ethoxybenzoyl)-6-fluoro-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

F390-0539

Molecular Formula

C24H19ClFNO4S (C24 H19 ClFNO4 S)

Compound Name

4-(3-chloro-4-methylphenyl)-2-(4-ethoxybenzoyl)-6-fluoro-1lambda~6~,4-benzothiazine-1,1(4H)-dione

IUPAC name

4-(3-chloro-4-methylphenyl)-2-(4-ethoxybenzoyl)-6-fluoro-4H-1lambda64-benzothiazine-11-dione

SMILES

CCOc(cc1)ccc1C(C1=CN(c2cc(Cl)c(C)cc2)c(cc(cc2)F)c2S1(=O)=O)=O

InChI

InChI=1S/C24H19ClFNO4S/c1-3-31-19-9-5-16(6-10-19)24(28)23-14-27(18-8-4-15(2)20(25)13-18)21-12-17(26)7-11-22(21)32(23,29)30/h4-14H,3H2,1-2H3

InChI Key

OQSHCBXJAZYUOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.379

Distribution Coefficient, logD

5.379

Water Solubility, LogSw

-5.97

Polar Surface Area

51.541

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with F390-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F390-0539?
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What is the minimum amount of F390-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F390-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F390-0539
  • 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 F390-0539 available by request