C200-9386 Screening compound: 4-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

C200-9386 Screening compound: 4-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
C200-9386 Screening compound: 4-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9386
4-(1,3-benzodioxol-5-ylmethyl)-2-(2-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

C200-9386

Molecular Formula

C22H18N2O6S (C22 H18 N2 O6 S)

Compound Name

4-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

4-[(2H-13-benzodioxol-5-yl)methyl]-2-(2-methoxyphenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

COc(cccc1)c1N(C(N(Cc(cc1)cc2c1OCO2)c1c2cccc1)=O)S2(=O)=O

InChI

InChI=1S/C22H18N2O6S/c1-28-18-8-4-2-6-16(18)24-22(25)23(17-7-3-5-9-21(17)31(24,26)27)13-15-10-11-19-20(12-15)30-14-29-19/h2-12H,13-14H2,1H3

InChI Key

BIEHFBCKEOMXRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.912

Distribution Coefficient, logD

3.912

Water Solubility, LogSw

-3.97

Polar Surface Area

71.188

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C200-9386 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 C200-9386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9386?
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What is the minimum amount of C200-9386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9386
  • 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 C200-9386 available by request