C200-4825 Screening compound: 2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)-N~1~-(3-methoxybenzyl)acetamide

C200-4825 Screening compound: 2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)-N~1~-(3-methoxybenzyl)acetamide
C200-4825 Screening compound: 2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)-N~1~-(3-methoxybenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4825
2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)-N~1~-(3-methoxybenzyl)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

C200-4825

Molecular Formula

C20H25N3O4S (C20 H25 N3 O4 S)

Compound Name

2-(6-benzyl-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl)-N~1~-(3-methoxybenzyl)acetamide

IUPAC name

2-(6-benzyl-11-dioxo-1lambda626-thiadiazinan-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide

SMILES

COc1cccc(CNC(CN(CCCN2Cc3ccccc3)S2(=O)=O)=O)c1

InChI

InChI=1S/C20H25N3O4S/c1-27-19-10-5-9-18(13-19)14-21-20(24)16-23-12-6-11-22(28(23,25)26)15-17-7-3-2-4-8-17/h2-5,7-10,13H,6,11-12,14-16H2,1H3,(H,21,24)

InChI Key

CQNYUYUSZPDTLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.114

Distribution Coefficient, logD

2.114

Water Solubility, LogSw

-2.88

Polar Surface Area

68.394

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C200-4825 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C200-4825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4825?
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What is the minimum amount of C200-4825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4825
  • 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 C200-4825 available by request