E722-2757 Screening compound: [4-(2-pyrimidinyl)piperazino](6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)methanone

E722-2757 Screening compound: [4-(2-pyrimidinyl)piperazino](6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)methanone
E722-2757 Screening compound: [4-(2-pyrimidinyl)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 E722-2757
[4-(2-pyrimidinyl)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

E722-2757

Molecular Formula

C20H22N4OS2 (C20 H22 N4 OS2)

Compound Name

[4-(2-pyrimidinyl)piperazino](6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophen-3-yl)methanone

IUPAC name

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

SMILES

O=C(C(SC1)=Cc2c1c(CCCC1)c1s2)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C20H22N4OS2/c25-19(23-8-10-24(11-9-23)20-21-6-3-7-22-20)18-12-17-15(13-26-18)14-4-1-2-5-16(14)27-17/h3,6-7,12H,1-2,4-5,8-11,13H2

InChI Key

NXZOPLUVQXADMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.179

Distribution Coefficient, logD

4.179

Water Solubility, LogSw

-4.09

Polar Surface Area

39.369

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

E722-2757 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E722-2757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-2757?
Check Price and Availability of E722-2757, 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 E722-2757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-2757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-2757
  • 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 E722-2757 available by request