C200-3431 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(3-chloro-4-methoxyphenyl)acetamide

C200-3431 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(3-chloro-4-methoxyphenyl)acetamide
C200-3431 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(3-chloro-4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3431
2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(3-chloro-4-methoxyphenyl)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

C200-3431

Molecular Formula

C19H21Cl2N3O4S (C19 H21 Cl2 N3 O4 S)

Compound Name

2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(3-chloro-4-methoxyphenyl)acetamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-{6-[(4-chlorophenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}acetamide

SMILES

COc(ccc(NC(CN(CCCN1Cc(cc2)ccc2Cl)S1(=O)=O)=O)c1)c1Cl

InChI

InChI=1S/C19H21Cl2N3O4S/c1-28-18-8-7-16(11-17(18)21)22-19(25)13-24-10-2-9-23(29(24,26)27)12-14-3-5-15(20)6-4-14/h3-8,11H,2,9-10,12-13H2,1H3,(H,22,25)

InChI Key

INNDIFHSEAEXIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.544

Distribution Coefficient, logD

3.544

Water Solubility, LogSw

-3.87

Polar Surface Area

67.159

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C200-3431 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 C200-3431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3431?
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What is the minimum amount of C200-3431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3431
  • 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 C200-3431 available by request