F390-0084 Screening compound: 4-(3-chlorophenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

F390-0084 Screening compound: 4-(3-chlorophenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
F390-0084 Screening compound: 4-(3-chlorophenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F390-0084
4-(3-chlorophenyl)-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

F390-0084

Molecular Formula

C22H16ClNO3S (C22 H16 ClNO3 S)

Compound Name

4-(3-chlorophenyl)-2-(4-methylbenzoyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

IUPAC name

4-(3-chlorophenyl)-2-(4-methylbenzoyl)-4H-1lambda64-benzothiazine-11-dione

SMILES

Cc(cc1)ccc1C(C1=CN(c2cccc(Cl)c2)c(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C22H16ClNO3S/c1-15-9-11-16(12-10-15)22(25)21-14-24(18-6-4-5-17(23)13-18)19-7-2-3-8-20(19)28(21,26)27/h2-14H,1H3

InChI Key

XNLNTCUWMJFOFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.89

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

4.550

Distribution Coefficient, logD

4.550

Water Solubility, LogSw

-4.56

Polar Surface Area

44.417

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

F390-0084 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with F390-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F390-0084?
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What is the minimum amount of F390-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F390-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F390-0084
  • 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 F390-0084 available by request