5545-0149 Screening compound: 4-(allylsulfanyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

5545-0149 Screening compound: 4-(allylsulfanyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
5545-0149 Screening compound: 4-(allylsulfanyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5545-0149
4-(allylsulfanyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-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

5545-0149

Molecular Formula

C17H17N3OS2 (C17 H17 N3 OS2)

Compound Name

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

IUPAC name

55-dimethyl-15-(prop-2-en-1-ylsulfanyl)-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)1214-hexaene

SMILES

CC(C)(C1)OCc(cc2c3ncn4)c1nc2sc3c4SCC=C

InChI

InChI=1S/C17H17N3OS2/c1-4-5-22-16-14-13(18-9-19-16)11-6-10-8-21-17(2,3)7-12(10)20-15(11)23-14/h4,6,9H,1,5,7-8H2,2-3H3

InChI Key

MBZCESDGZHTWKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02991995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.467

Water Solubility, LogSw

-4.44

Polar Surface Area

39.504

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

5545-0149 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5545-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5545-0149?
Check Price and Availability of 5545-0149, 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 5545-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5545-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5545-0149
  • 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 5545-0149 available by request