E871-0521 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(2-ethoxyphenyl)acetamide

E871-0521 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(2-ethoxyphenyl)acetamide
E871-0521 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(2-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E871-0521
2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(2-ethoxyphenyl)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

E871-0521

Molecular Formula

C20H24ClN3O4S (C20 H24 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1NC(CN(CCCN1Cc(cc2)ccc2Cl)S1(=O)=O)=O

InChI

InChI=1S/C20H24ClN3O4S/c1-2-28-19-7-4-3-6-18(19)22-20(25)15-24-13-5-12-23(29(24,26)27)14-16-8-10-17(21)11-9-16/h3-4,6-11H,2,5,12-15H2,1H3,(H,22,25)

InChI Key

RUVJVFCJEKRNKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08541082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.95

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

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.62

Polar Surface Area

66.041

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with E871-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E871-0521?
Check Price and Availability of E871-0521, 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 E871-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E871-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E871-0521
  • 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 E871-0521 available by request