E676-4543 Screening compound: N~1~-[2-(diethylamino)ethyl]-N~1~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide

E676-4543 Screening compound: N~1~-[2-(diethylamino)ethyl]-N~1~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide
E676-4543 Screening compound: N~1~-[2-(diethylamino)ethyl]-N~1~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-4543
N~1~-[2-(diethylamino)ethyl]-N~1~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2,5-dioxo-1-pyrrolidinyl)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

E676-4543

Molecular Formula

C21H26N4O5S (C21 H26 N4 O5 S)

Compound Name

N~1~-[2-(diethylamino)ethyl]-N~1~-(6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide

IUPAC name

n/a

SMILES

CCN(CC)CCN(C(CN(C(CC1)=O)C1=O)=O)c1nc(cc2OCCOc2c2)c2s1

InChI

InChI=1S/C21H26N4O5S/c1-3-23(4-2)7-8-24(20(28)13-25-18(26)5-6-19(25)27)21-22-14-11-15-16(12-17(14)31-21)30-10-9-29-15/h11-12H,3-10,13H2,1-2H3

InChI Key

LEHVIPBOZQRAGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985393

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.456

Distribution Coefficient, logD

-0.348

Water Solubility, LogSw

-1.49

Polar Surface Area

74.433

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

E676-4543 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E676-4543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-4543?
Check Price and Availability of E676-4543, 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 E676-4543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-4543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-4543
  • 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 E676-4543 available by request