G786-0951 Screening compound: N-(3,4-dimethoxyphenethyl)-N-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

G786-0951 Screening compound: N-(3,4-dimethoxyphenethyl)-N-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine
G786-0951 Screening compound: N-(3,4-dimethoxyphenethyl)-N-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0951
N-(3,4-dimethoxyphenethyl)-N-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

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

G786-0951

Molecular Formula

C21H25N3O2S (C21 H25 N3 O2 S)

Compound Name

N-(3,4-dimethoxyphenethyl)-N-(6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-12-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-amine

SMILES

CC(CC1)Cc2c1sc1ncnc(NCCc(cc3)cc(OC)c3OC)c12

InChI

InChI=1S/C21H25N3O2S/c1-13-4-7-18-15(10-13)19-20(23-12-24-21(19)27-18)22-9-8-14-5-6-16(25-2)17(11-14)26-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,22,23,24)/t13-/m1/s1

InChI Key

WBTHJHBXZKKMLN-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03284844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.593

Water Solubility, LogSw

-4.70

Polar Surface Area

47.050

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

G786-0951 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G786-0951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0951?
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What is the minimum amount of G786-0951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0951
  • 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 G786-0951 available by request