E871-0370 Screening compound: 2-(4-chlorobenzyl)-6-(3-methylbenzyl)-1lambda~6~,2,6-thiadiazinane-1,1-dione

E871-0370 Screening compound: 2-(4-chlorobenzyl)-6-(3-methylbenzyl)-1lambda~6~,2,6-thiadiazinane-1,1-dione
E871-0370 Screening compound: 2-(4-chlorobenzyl)-6-(3-methylbenzyl)-1lambda~6~,2,6-thiadiazinane-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E871-0370
2-(4-chlorobenzyl)-6-(3-methylbenzyl)-1lambda~6~,2,6-thiadiazinane-1,1-dione

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

E871-0370

Molecular Formula

C18H21ClN2O2S (C18 H21 ClN2 O2 S)

Compound Name

2-(4-chlorobenzyl)-6-(3-methylbenzyl)-1lambda~6~,2,6-thiadiazinane-1,1-dione

IUPAC name

n/a

SMILES

Cc1cccc(CN(CCCN2Cc(cc3)ccc3Cl)S2(=O)=O)c1

InChI

InChI=1S/C18H21ClN2O2S/c1-15-4-2-5-17(12-15)14-21-11-3-10-20(24(21,22)23)13-16-6-8-18(19)9-7-16/h2,4-9,12H,3,10-11,13-14H2,1H3

InChI Key

KRIXOVAFZYGMEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.099

Distribution Coefficient, logD

4.099

Water Solubility, LogSw

-4.39

Polar Surface Area

36.379

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

E871-0370 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 E871-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E871-0370?
Check Price and Availability of E871-0370, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E871-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E871-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E871-0370
  • 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 E871-0370 available by request