F390-0077 Screening compound: ethyl 4-[2-(4-methylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate

F390-0077 Screening compound: ethyl 4-[2-(4-methylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate
F390-0077 Screening compound: ethyl 4-[2-(4-methylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F390-0077
ethyl 4-[2-(4-methylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate

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

F390-0077

Molecular Formula

C25H21NO5S (C25 H21 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1N(C=C1C(c2ccc(C)cc2)=O)c(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C25H21NO5S/c1-3-31-25(28)19-12-14-20(15-13-19)26-16-23(24(27)18-10-8-17(2)9-11-18)32(29,30)22-7-5-4-6-21(22)26/h4-16H,3H2,1-2H3

InChI Key

SMPWCWPBQYMDTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

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

4.497

Distribution Coefficient, logD

4.497

Water Solubility, LogSw

-4.22

Polar Surface Area

65.171

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with F390-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F390-0077?
Check Price and Availability of F390-0077, 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 F390-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F390-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F390-0077
  • 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 F390-0077 available by request