E628-0950 Screening compound: ethyl 2-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

E628-0950 Screening compound: ethyl 2-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
E628-0950 Screening compound: ethyl 2-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E628-0950
ethyl 2-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

E628-0950

Molecular Formula

C20H22N2O3S2 (C20 H22 N2 O3 S2)

Compound Name

ethyl 2-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[(34-dihydro-2H-14-benzothiazine-4-carbonyl)amino]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(N2c(cccc3)c3SCC2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C20H22N2O3S2/c1-2-25-19(23)17-13-7-3-5-9-15(13)27-18(17)21-20(24)22-11-12-26-16-10-6-4-8-14(16)22/h4,6,8,10H,2-3,5,7,9,11-12H2,1H3,(H,21,24)

InChI Key

JUEAIZNWLXEJKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.916

Distribution Coefficient, logD

4.366

Water Solubility, LogSw

-4.56

Polar Surface Area

44.841

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E628-0950 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Purinergic Library (3321 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Others
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E628-0950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E628-0950?
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What is the minimum amount of E628-0950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E628-0950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E628-0950
  • 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 E628-0950 available by request