F390-0480 Screening compound: 4-[2-(2,4-dimethylbenzoyl)-6-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile

F390-0480 Screening compound: 4-[2-(2,4-dimethylbenzoyl)-6-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
F390-0480 Screening compound: 4-[2-(2,4-dimethylbenzoyl)-6-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F390-0480
4-[2-(2,4-dimethylbenzoyl)-6-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile

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

F390-0480

Molecular Formula

C24H17FN2O3S (C24 H17 FN2 O3 S)

Compound Name

4-[2-(2,4-dimethylbenzoyl)-6-fluoro-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile

IUPAC name

4-[2-(24-dimethylbenzoyl)-6-fluoro-11-dioxo-4H-1lambda64-benzothiazin-4-yl]benzonitrile

SMILES

Cc(cc1)cc(C)c1C(C1=CN(c(cc2)ccc2C#N)c(cc(cc2)F)c2S1(=O)=O)=O

InChI

InChI=1S/C24H17FN2O3S/c1-15-3-9-20(16(2)11-15)24(28)23-14-27(19-7-4-17(13-26)5-8-19)21-12-18(25)6-10-22(21)31(23,29)30/h3-12,14H,1-2H3

InChI Key

AGGNRDNMFQXXEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.271

Distribution Coefficient, logD

4.271

Water Solubility, LogSw

-4.35

Polar Surface Area

61.474

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

F390-0480 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F390-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F390-0480?
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What is the minimum amount of F390-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F390-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F390-0480
  • 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 F390-0480 available by request