E676-4289 Screening compound: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

E676-4289 Screening compound: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
E676-4289 Screening compound: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-4289
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-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

E676-4289

Molecular Formula

C19H23ClN4O3S (C19 H23 ClN4 O3 S)

Compound Name

N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

IUPAC name

N-(4-chloro-13-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-(25-dioxopyrrolidin-1-yl)acetamide

SMILES

CCN(CC)CCN(C(CN(C(CC1)=O)C1=O)=O)c(sc1ccc2)nc1c2Cl

InChI

InChI=1S/C19H23ClN4O3S/c1-3-22(4-2)10-11-23(17(27)12-24-15(25)8-9-16(24)26)19-21-18-13(20)6-5-7-14(18)28-19/h5-7H,3-4,8-12H2,1-2H3

InChI Key

GBCBRISSOXAFMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985331

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

422.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.084

Distribution Coefficient, logD

1.279

Water Solubility, LogSw

-2.87

Polar Surface Area

59.381

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

E676-4289 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 E676-4289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-4289?
Check Price and Availability of E676-4289, 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 E676-4289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-4289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-4289
  • 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 E676-4289 available by request