E722-2678 Screening compound: N~3~-{2-[4-(5-chloro-2-methylphenyl)piperazino]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

E722-2678 Screening compound: N~3~-{2-[4-(5-chloro-2-methylphenyl)piperazino]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
E722-2678 Screening compound: N~3~-{2-[4-(5-chloro-2-methylphenyl)piperazino]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E722-2678
N~3~-{2-[4-(5-chloro-2-methylphenyl)piperazino]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

E722-2678

Molecular Formula

C25H30ClN3OS2 (C25 H30 ClN3 OS2)

Compound Name

N~3~-{2-[4-(5-chloro-2-methylphenyl)piperazino]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide

IUPAC name

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

SMILES

Cc(ccc(Cl)c1)c1N1CCN(CCNC(C(SC2)=Cc3c2c(CCCC2)c2s3)=O)CC1

InChI

InChI=1S/C25H30ClN3OS2/c1-17-6-7-18(26)14-21(17)29-12-10-28(11-13-29)9-8-27-25(30)24-15-23-20(16-31-24)19-4-2-3-5-22(19)32-23/h6-7,14-15H,2-5,8-13,16H2,1H3,(H,27,30)

InChI Key

JWYFRMWUHMOISJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.12

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.856

Distribution Coefficient, logD

5.585

Water Solubility, LogSw

-5.89

Polar Surface Area

32.295

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with E722-2678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-2678?
Check Price and Availability of E722-2678, 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 E722-2678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-2678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-2678
  • 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 E722-2678 available by request