E722-2637 Screening compound: N~3~-{2-[butyl(ethyl)amino]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

E722-2637 Screening compound: N~3~-{2-[butyl(ethyl)amino]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
E722-2637 Screening compound: N~3~-{2-[butyl(ethyl)amino]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E722-2637
N~3~-{2-[butyl(ethyl)amino]ethyl}-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

E722-2637

Molecular Formula

C20H30N2OS2 (C20 H30 N2 OS2)

Compound Name

N~3~-{2-[butyl(ethyl)amino]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

IUPAC name

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

SMILES

CCCCN(CC)CCNC(C(SC1)=Cc2c1c(CCCC1)c1s2)=O

InChI

InChI=1S/C20H30N2OS2/c1-3-5-11-22(4-2)12-10-21-20(23)19-13-18-16(14-24-19)15-8-6-7-9-17(15)25-18/h13H,3-12,14H2,1-2H3,(H,21,23)

InChI Key

HDUBXSLLIQXABR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-4.22

Polar Surface Area

29.289

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

E722-2637 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with E722-2637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-2637?
Check Price and Availability of E722-2637, 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 E722-2637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-2637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-2637
  • 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 E722-2637 available by request