C200-5497 Screening compound: 2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-4-phenyl-1lambda~6~,2,3-benzothiadiazine-1,1(2H)-dione

C200-5497 Screening compound: 2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-4-phenyl-1lambda~6~,2,3-benzothiadiazine-1,1(2H)-dione
C200-5497 Screening compound: 2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-4-phenyl-1lambda~6~,2,3-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5497
2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-4-phenyl-1lambda~6~,2,3-benzothiadiazine-1,1(2H)-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

C200-5497

Molecular Formula

C25H21N3O3S (C25 H21 N3 O3 S)

Compound Name

2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-4-phenyl-1lambda~6~,2,3-benzothiadiazine-1,1(2H)-dione

IUPAC name

2-{[5-methyl-2-(4-methylphenyl)-13-oxazol-4-yl]methyl}-4-phenyl-2H-1lambda623-benzothiadiazine-11-dione

SMILES

Cc1c(CN(N=C(c2ccccc2)c2c3cccc2)S3(=O)=O)nc(-c2ccc(C)cc2)o1

InChI

InChI=1S/C25H21N3O3S/c1-17-12-14-20(15-13-17)25-26-22(18(2)31-25)16-28-27-24(19-8-4-3-5-9-19)21-10-6-7-11-23(21)32(28,29)30/h3-15H,16H2,1-2H3

InChI Key

YUUMJQHHNRWYRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.224

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.16

Polar Surface Area

58.826

Acid Dissociation Constant (pKa)

23.97

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C200-5497 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C200-5497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5497?
Check Price and Availability of C200-5497, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-5497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5497
  • 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 C200-5497 available by request