F390-0074 Screening compound: 4-[2-(4-methylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile

F390-0074 Screening compound: 4-[2-(4-methylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
F390-0074 Screening compound: 4-[2-(4-methylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F390-0074
4-[2-(4-methylbenzoyl)-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

F390-0074

Molecular Formula

C23H16N2O3S (C23 H16 N2 O3 S)

Compound Name

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

IUPAC name

4-[2-(4-methylbenzoyl)-11-dioxo-4H-1lambda64-benzothiazin-4-yl]benzonitrile

SMILES

Cc(cc1)ccc1C(C1=CN(c(cc2)ccc2C#N)c(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C23H16N2O3S/c1-16-6-10-18(11-7-16)23(26)22-15-25(19-12-8-17(14-24)9-13-19)20-4-2-3-5-21(20)29(22,27)28/h2-13,15H,1H3

InChI Key

IDVNQEHWNBDVET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

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

3.550

Distribution Coefficient, logD

3.550

Water Solubility, LogSw

-3.86

Polar Surface Area

61.474

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

F390-0074 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 F390-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F390-0074?
Check Price and Availability of F390-0074, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F390-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F390-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F390-0074
  • 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 F390-0074 available by request