E722-2595 Screening compound: N~3~-(2-morpholinoethyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

E722-2595 Screening compound: N~3~-(2-morpholinoethyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
E722-2595 Screening compound: N~3~-(2-morpholinoethyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E722-2595
N~3~-(2-morpholinoethyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

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

E722-2595

Molecular Formula

C18H24N2O2S2 (C18 H24 N2 O2 S2)

Compound Name

N~3~-(2-morpholinoethyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

IUPAC name

N-[2-(morpholin-4-yl)ethyl]-48-dithiatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-triene-5-carboxamide

SMILES

O=C(C(SC1)=Cc2c1c(CCCC1)c1s2)NCCN1CCOCC1

InChI

InChI=1S/C18H24N2O2S2/c21-18(19-5-6-20-7-9-22-10-8-20)17-11-16-14(12-23-17)13-3-1-2-4-15(13)24-16/h11H,1-10,12H2,(H,19,21)

InChI Key

HKEQXJZVZXIGEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.843

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-3.23

Polar Surface Area

37.244

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

E722-2595 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E722-2595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-2595?
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What is the minimum amount of E722-2595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-2595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-2595
  • 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 E722-2595 available by request