C200-9272 Screening compound: 4-(3-fluoro-4-methoxybenzyl)-2-(3-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

C200-9272 Screening compound: 4-(3-fluoro-4-methoxybenzyl)-2-(3-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
C200-9272 Screening compound: 4-(3-fluoro-4-methoxybenzyl)-2-(3-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9272
4-(3-fluoro-4-methoxybenzyl)-2-(3-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-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

C200-9272

Molecular Formula

C22H19FN2O5S (C22 H19 FN2 O5 S)

Compound Name

4-(3-fluoro-4-methoxybenzyl)-2-(3-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

4-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-methoxyphenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

COc1cccc(N(C(N(Cc(cc2)cc(F)c2OC)c2c3cccc2)=O)S3(=O)=O)c1

InChI

InChI=1S/C22H19FN2O5S/c1-29-17-7-5-6-16(13-17)25-22(26)24(14-15-10-11-20(30-2)18(23)12-15)19-8-3-4-9-21(19)31(25,27)28/h3-13H,14H2,1-2H3

InChI Key

SWCAXZSAEBVGII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.357

Distribution Coefficient, logD

4.357

Water Solubility, LogSw

-4.42

Polar Surface Area

61.917

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-11.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C200-9272 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-9272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9272?
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What is the minimum amount of C200-9272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9272
  • 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 C200-9272 available by request