G786-0966 Screening compound: 3-methoxyphenyl {2-[4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1-pyrazinyl]ethyl} ether

G786-0966 Screening compound: 3-methoxyphenyl {2-[4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1-pyrazinyl]ethyl} ether
G786-0966 Screening compound: 3-methoxyphenyl {2-[4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1-pyrazinyl]ethyl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0966
3-methoxyphenyl {2-[4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1-pyrazinyl]ethyl} ether

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

G786-0966

Molecular Formula

C23H28N4O2S (C23 H28 N4 O2 S)

Compound Name

3-methoxyphenyl {2-[4-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1-pyrazinyl]ethyl} ether

IUPAC name

3-{4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl}-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

COc1cccc(OCCN(CC2)CCN2c2c(c(CCCC3)c3s3)c3ncn2)c1

InChI

InChI=1S/C23H28N4O2S/c1-28-17-5-4-6-18(15-17)29-14-13-26-9-11-27(12-10-26)22-21-19-7-2-3-8-20(19)30-23(21)25-16-24-22/h4-6,15-16H,2-3,7-14H2,1H3

InChI Key

VWMKFNUSFCFMBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04185825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.014

Distribution Coefficient, logD

4.977

Water Solubility, LogSw

-4.94

Polar Surface Area

42.939

Acid Dissociation Constant (pKa)

22.35

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

G786-0966 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with G786-0966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0966?
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What is the minimum amount of G786-0966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0966
  • 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 G786-0966 available by request