E722-2759 Screening compound: [4-(4-methoxyphenyl)piperazino](6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)methanone

E722-2759 Screening compound: [4-(4-methoxyphenyl)piperazino](6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)methanone
E722-2759 Screening compound: [4-(4-methoxyphenyl)piperazino](6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E722-2759
[4-(4-methoxyphenyl)piperazino](6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)methanone

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

E722-2759

Molecular Formula

C23H26N2O2S2 (C23 H26 N2 O2 S2)

Compound Name

[4-(4-methoxyphenyl)piperazino](6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)methanone

IUPAC name

1-{48-dithiatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-triene-5-carbonyl}-4-(4-methoxyphenyl)piperazine

SMILES

COc(cc1)ccc1N(CC1)CCN1C(C(SC1)=Cc2c1c(CCCC1)c1s2)=O

InChI

InChI=1S/C23H26N2O2S2/c1-27-17-8-6-16(7-9-17)24-10-12-25(13-11-24)23(26)22-14-21-19(15-28-22)18-4-2-3-5-20(18)29-21/h6-9,14H,2-5,10-13,15H2,1H3

InChI Key

GEOUIHABOWABOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.118

Distribution Coefficient, logD

5.118

Water Solubility, LogSw

-4.91

Polar Surface Area

28.550

Acid Dissociation Constant (pKa)

24.46

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

E722-2759 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E722-2759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-2759?
Check Price and Availability of E722-2759, 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 E722-2759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-2759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-2759
  • 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 E722-2759 available by request