C200-8596 Screening compound: 2-[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(4-methylbenzyl)acetamide

C200-8596 Screening compound: 2-[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(4-methylbenzyl)acetamide
C200-8596 Screening compound: 2-[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(4-methylbenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8596
2-[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(4-methylbenzyl)acetamide

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

C200-8596

Molecular Formula

C19H21N3O3S2 (C19 H21 N3 O3 S2)

Compound Name

2-[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N~1~-(4-methylbenzyl)acetamide

IUPAC name

2-[(4-ethyl-11-dioxo-4H-1lambda624-benzothiadiazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide

SMILES

CCN(c1c2cccc1)C(SCC(NCc1ccc(C)cc1)=O)=NS2(=O)=O

InChI

InChI=1S/C19H21N3O3S2/c1-3-22-16-6-4-5-7-17(16)27(24,25)21-19(22)26-13-18(23)20-12-15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,20,23)

InChI Key

ILCVZWOQJGDREO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.015

Distribution Coefficient, logD

3.015

Water Solubility, LogSw

-3.45

Polar Surface Area

68.181

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with C200-8596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8596?
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What is the minimum amount of C200-8596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8596
  • 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 C200-8596 available by request