F390-0089 Screening compound: 4-(4-bromophenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

F390-0089 Screening compound: 4-(4-bromophenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
F390-0089 Screening compound: 4-(4-bromophenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F390-0089
4-(4-bromophenyl)-2-(4-methylbenzoyl)-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

F390-0089

Molecular Formula

C22H16BrNO3S (C22 H16 BrNO3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(C1=CN(c(cc2)ccc2Br)c(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C22H16BrNO3S/c1-15-6-8-16(9-7-15)22(25)21-14-24(18-12-10-17(23)11-13-18)19-4-2-3-5-20(19)28(21,26)27/h2-14H,1H3

InChI Key

XEXWDSBTFOQYTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.730

Distribution Coefficient, logD

4.730

Water Solubility, LogSw

-4.63

Polar Surface Area

44.417

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with F390-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F390-0089?
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What is the minimum amount of F390-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F390-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F390-0089
  • 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 F390-0089 available by request