E871-0523 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-mesitylacetamide

E871-0523 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-mesitylacetamide
E871-0523 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-mesitylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E871-0523
2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-mesitylacetamide

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

E871-0523

Molecular Formula

C21H26ClN3O3S (C21 H26 ClN3 O3 S)

Compound Name

2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-mesitylacetamide

IUPAC name

2-{6-[(4-chlorophenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}-N-(246-trimethylphenyl)acetamide

SMILES

Cc(cc1C)cc(C)c1NC(CN(CCCN1Cc(cc2)ccc2Cl)S1(=O)=O)=O

InChI

InChI=1S/C21H26ClN3O3S/c1-15-11-16(2)21(17(3)12-15)23-20(26)14-25-10-4-9-24(29(25,27)28)13-18-5-7-19(22)8-6-18/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,23,26)

InChI Key

RYVQVYAJCJSBTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.97

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

3.547

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-3.84

Polar Surface Area

58.132

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with E871-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E871-0523?
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What is the minimum amount of E871-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E871-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E871-0523
  • 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 E871-0523 available by request