C200-8868 Screening compound: 4-[4-(tert-butyl)benzyl]-2-(3-ethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

C200-8868 Screening compound: 4-[4-(tert-butyl)benzyl]-2-(3-ethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
C200-8868 Screening compound: 4-[4-(tert-butyl)benzyl]-2-(3-ethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8868
4-[4-(tert-butyl)benzyl]-2-(3-ethylphenyl)-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

C200-8868

Molecular Formula

C26H28N2O3S (C26 H28 N2 O3 S)

Compound Name

4-[4-(tert-butyl)benzyl]-2-(3-ethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

4-[(4-tert-butylphenyl)methyl]-2-(3-ethylphenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

CCc1cccc(N(C(N(Cc2ccc(C(C)(C)C)cc2)c2c3cccc2)=O)S3(=O)=O)c1

InChI

InChI=1S/C26H28N2O3S/c1-5-19-9-8-10-22(17-19)28-25(29)27(23-11-6-7-12-24(23)32(28,30)31)18-20-13-15-21(16-14-20)26(2,3)4/h6-17H,5,18H2,1-4H3

InChI Key

DCYILTADOOQIKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.916

Distribution Coefficient, logD

6.916

Water Solubility, LogSw

-5.63

Polar Surface Area

46.743

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-10.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C200-8868 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 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

References: we are preparing a list of scientific research reports with C200-8868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8868?
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What is the minimum amount of C200-8868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8868
  • 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 C200-8868 available by request