F390-0576 Screening compound: 4-(4-bromophenyl)-2-(3,4-dimethoxybenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

F390-0576 Screening compound: 4-(4-bromophenyl)-2-(3,4-dimethoxybenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
F390-0576 Screening compound: 4-(4-bromophenyl)-2-(3,4-dimethoxybenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F390-0576
4-(4-bromophenyl)-2-(3,4-dimethoxybenzoyl)-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

F390-0576

Molecular Formula

C23H18BrNO5S (C23 H18 BrNO5 S)

Compound Name

4-(4-bromophenyl)-2-(3,4-dimethoxybenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

IUPAC name

4-(4-bromophenyl)-2-(34-dimethoxybenzoyl)-4H-1lambda64-benzothiazine-11-dione

SMILES

COc(ccc(C(C1=CN(c(cc2)ccc2Br)c(cccc2)c2S1(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C23H18BrNO5S/c1-29-19-12-7-15(13-20(19)30-2)23(26)22-14-25(17-10-8-16(24)9-11-17)18-5-3-4-6-21(18)31(22,27)28/h3-14H,1-2H3

InChI Key

ZOSFULDKMVNKKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.983

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-4.26

Polar Surface Area

59.678

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with F390-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F390-0576?
Check Price and Availability of F390-0576, 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 F390-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F390-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F390-0576
  • 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 F390-0576 available by request