5169-0289 Screening compound: 1-naphthyl [(8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] ether

5169-0289 Screening compound: 1-naphthyl [(8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] ether
5169-0289 Screening compound: 1-naphthyl [(8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 5169-0289
1-naphthyl [(8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] 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

5169-0289

Molecular Formula

C25H25N5OS (C25 H25 N5 OS)

Compound Name

1-naphthyl [(8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] ether

IUPAC name

12121414-tetramethyl-4-[(naphthalen-1-yloxy)methyl]-10-thia-356813-pentaazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

CC(C)(C1)NC(C)(C)c2c1c(c1nc(COc3cccc4ccccc34)nn1cn1)c1s2

InChI

InChI=1S/C25H25N5OS/c1-24(2)12-17-20-22-27-19(13-31-18-11-7-9-15-8-5-6-10-16(15)18)28-30(22)14-26-23(20)32-21(17)25(3,4)29-24/h5-11,14,29H,12-13H2,1-4H3

InChI Key

CGIYSLITXZCPEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.291

Distribution Coefficient, logD

5.213

Water Solubility, LogSw

-6.38

Polar Surface Area

53.160

Acid Dissociation Constant (pKa)

24.42

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

5169-0289 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5169-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5169-0289?
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What is the minimum amount of 5169-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5169-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5169-0289
  • 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 5169-0289 available by request