5545-0146 Screening compound: 8,8-dimethyl-3-octyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

5545-0146 Screening compound: 8,8-dimethyl-3-octyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
5545-0146 Screening compound: 8,8-dimethyl-3-octyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5545-0146
8,8-dimethyl-3-octyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

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

5545-0146

Molecular Formula

C22H29N3O2S (C22 H29 N3 O2 S)

Compound Name

8,8-dimethyl-3-octyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

55-dimethyl-14-octyl-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)12-pentaen-15-one

SMILES

CCCCCCCCN(C=Nc1c2sc3nc(CC(C)(C)OC4)c4cc13)C2=O

InChI

InChI=1S/C22H29N3O2S/c1-4-5-6-7-8-9-10-25-14-23-18-16-11-15-13-27-22(2,3)12-17(15)24-20(16)28-19(18)21(25)26/h11,14H,4-10,12-13H2,1-3H3

InChI Key

SZSNFHVNEJKESZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02990057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.626

Distribution Coefficient, logD

5.626

Water Solubility, LogSw

-5.23

Polar Surface Area

43.176

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

References: we are preparing a list of scientific research reports with 5545-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5545-0146?
Check Price and Availability of 5545-0146, 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 5545-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5545-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5545-0146
  • 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 5545-0146 available by request