C200-4196 Screening compound: 3-[(E)-1-(3-fluoroanilino)methylidene]-1-(3-methylbenzyl)-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione

C200-4196 Screening compound: 3-[(E)-1-(3-fluoroanilino)methylidene]-1-(3-methylbenzyl)-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
C200-4196 Screening compound: 3-[(E)-1-(3-fluoroanilino)methylidene]-1-(3-methylbenzyl)-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4196
3-[(E)-1-(3-fluoroanilino)methylidene]-1-(3-methylbenzyl)-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione

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

C200-4196

Molecular Formula

C23H19FN2O3S (C23 H19 FN2 O3 S)

Compound Name

3-[(E)-1-(3-fluoroanilino)methylidene]-1-(3-methylbenzyl)-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione

IUPAC name

(3E)-3-{[(3-fluorophenyl)amino]methylidene}-1-[(3-methylphenyl)methyl]-34-dihydro-1H-2lambda61-benzothiazine-224-trione

SMILES

Cc1cccc(CN(c(cccc2)c2C(/C2=C\Nc3cc(F)ccc3)=O)S2(=O)=O)c1

InChI

InChI=1S/C23H19FN2O3S/c1-16-6-4-7-17(12-16)15-26-21-11-3-2-10-20(21)23(27)22(30(26,28)29)14-25-19-9-5-8-18(24)13-19/h2-14,25H,15H2,1H3

InChI Key

SIVOUTWEVPLERT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

4.690

Water Solubility, LogSw

-4.56

Polar Surface Area

55.509

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with C200-4196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4196?
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What is the minimum amount of C200-4196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4196
  • 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 C200-4196 available by request