4789-3832 Screening compound: 7-methyl-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

4789-3832 Screening compound: 7-methyl-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
4789-3832 Screening compound: 7-methyl-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-3832
7-methyl-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

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

4789-3832

Molecular Formula

C21H29N3S (C21 H29 N3 S)

Compound Name

7-methyl-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

11-methyl-3-{133-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

CC(CC1)Cc2c1c1c(N3C(C4)CC(C)(C)CC4(C)C3)ncnc1s2

InChI

InChI=1S/C21H29N3S/c1-13-5-6-15-16(7-13)25-19-17(15)18(22-12-23-19)24-11-21(4)9-14(24)8-20(2,3)10-21/h12-14H,5-11H2,1-4H3

InChI Key

GWEZRYUFIJJLIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02968069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.55

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.732

Distribution Coefficient, logD

5.727

Water Solubility, LogSw

-5.80

Polar Surface Area

24.145

Acid Dissociation Constant (pKa)

18.13

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

71.40

4789-3832 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • GPCR
  • Ion Channels
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4789-3832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-3832?
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What is the minimum amount of 4789-3832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-3832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-3832
  • 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 4789-3832 available by request