E722-2728 Screening compound: [4-(3-chlorophenyl)piperazino](6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)methanone

E722-2728 Screening compound: [4-(3-chlorophenyl)piperazino](6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)methanone
E722-2728 Screening compound: [4-(3-chlorophenyl)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 E722-2728
[4-(3-chlorophenyl)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

E722-2728

Molecular Formula

C22H23ClN2OS2 (C22 H23 ClN2 OS2)

Compound Name

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

IUPAC name

1-(3-chlorophenyl)-4-{48-dithiatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-triene-5-carbonyl}piperazine

SMILES

O=C(C(SC1)=Cc2c1c(CCCC1)c1s2)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C22H23ClN2OS2/c23-15-4-3-5-16(12-15)24-8-10-25(11-9-24)22(26)21-13-20-18(14-27-21)17-6-1-2-7-19(17)28-20/h3-5,12-13H,1-2,6-11,14H2

InChI Key

HCMPHUOEZNOEOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.02

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.598

Distribution Coefficient, logD

5.598

Water Solubility, LogSw

-5.88

Polar Surface Area

21.007

Acid Dissociation Constant (pKa)

24.46

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with E722-2728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-2728?
Check Price and Availability of E722-2728, 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 E722-2728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-2728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-2728
  • 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 E722-2728 available by request