F390-0004 Screening compound: 2-benzoyl-4-(3-ethylphenyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

F390-0004 Screening compound: 2-benzoyl-4-(3-ethylphenyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
F390-0004 Screening compound: 2-benzoyl-4-(3-ethylphenyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F390-0004
2-benzoyl-4-(3-ethylphenyl)-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

F390-0004

Molecular Formula

C23H19NO3S (C23 H19 NO3 S)

Compound Name

2-benzoyl-4-(3-ethylphenyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

IUPAC name

2-benzoyl-4-(3-ethylphenyl)-4H-1lambda64-benzothiazine-11-dione

SMILES

CCc1cccc(N(C=C2C(c3ccccc3)=O)c(cccc3)c3S2(=O)=O)c1

InChI

InChI=1S/C23H19NO3S/c1-2-17-9-8-12-19(15-17)24-16-22(23(25)18-10-4-3-5-11-18)28(26,27)21-14-7-6-13-20(21)24/h3-16H,2H2,1H3

InChI Key

NFTXZMTWGCAPKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.271

Distribution Coefficient, logD

4.271

Water Solubility, LogSw

-4.30

Polar Surface Area

44.417

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F390-0004 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 F390-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F390-0004?
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What is the minimum amount of F390-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F390-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F390-0004
  • 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 F390-0004 available by request