E871-0471 Screening compound: N~1~-(2,4-dimethylphenyl)-2-[6-(4-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide

E871-0471 Screening compound: N~1~-(2,4-dimethylphenyl)-2-[6-(4-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide
E871-0471 Screening compound: N~1~-(2,4-dimethylphenyl)-2-[6-(4-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E871-0471
N~1~-(2,4-dimethylphenyl)-2-[6-(4-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]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

E871-0471

Molecular Formula

C21H27N3O3S (C21 H27 N3 O3 S)

Compound Name

N~1~-(2,4-dimethylphenyl)-2-[6-(4-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide

IUPAC name

N-(24-dimethylphenyl)-2-{6-[(4-methylphenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}acetamide

SMILES

Cc1ccc(CN(CCCN2CC(Nc3c(C)cc(C)cc3)=O)S2(=O)=O)cc1

InChI

InChI=1S/C21H27N3O3S/c1-16-5-8-19(9-6-16)14-23-11-4-12-24(28(23,26)27)15-21(25)22-20-10-7-17(2)13-18(20)3/h5-10,13H,4,11-12,14-15H2,1-3H3,(H,22,25)

InChI Key

IUDXTZATGQBCOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08541078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.345

Distribution Coefficient, logD

3.345

Water Solubility, LogSw

-3.44

Polar Surface Area

58.830

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E871-0471 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 E871-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E871-0471?
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What is the minimum amount of E871-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E871-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E871-0471
  • 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 E871-0471 available by request