C200-5802 Screening compound: 2-(4-ethylbenzoyl)-7-fluoro-4-phenyl-1lambda~6~,4-benzothiazine-1,1(4H)-dione

C200-5802 Screening compound: 2-(4-ethylbenzoyl)-7-fluoro-4-phenyl-1lambda~6~,4-benzothiazine-1,1(4H)-dione
C200-5802 Screening compound: 2-(4-ethylbenzoyl)-7-fluoro-4-phenyl-1lambda~6~,4-benzothiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5802
2-(4-ethylbenzoyl)-7-fluoro-4-phenyl-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

C200-5802

Molecular Formula

C23H18FNO3S (C23 H18 FNO3 S)

Compound Name

2-(4-ethylbenzoyl)-7-fluoro-4-phenyl-1lambda~6~,4-benzothiazine-1,1(4H)-dione

IUPAC name

2-(4-ethylbenzoyl)-7-fluoro-4-phenyl-4H-1lambda64-benzothiazine-11-dione

SMILES

CCc(cc1)ccc1C(C1=CN(c2ccccc2)c(ccc(F)c2)c2S1(=O)=O)=O

InChI

InChI=1S/C23H18FNO3S/c1-2-16-8-10-17(11-9-16)23(26)22-15-25(19-6-4-3-5-7-19)20-13-12-18(24)14-21(20)29(22,27)28/h3-15H,2H2,1H3

InChI Key

VOPAVEMFFFJZHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

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

4.546

Distribution Coefficient, logD

4.546

Water Solubility, LogSw

-4.35

Polar Surface Area

44.417

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C200-5802 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 C200-5802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5802?
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What is the minimum amount of C200-5802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5802
  • 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 C200-5802 available by request