4506-0267 Screening compound: 9-(allylsulfanyl)-8-ethyl-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one

4506-0267 Screening compound: 9-(allylsulfanyl)-8-ethyl-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
4506-0267 Screening compound: 9-(allylsulfanyl)-8-ethyl-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4506-0267
9-(allylsulfanyl)-8-ethyl-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-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

4506-0267

Molecular Formula

C19H18N2OS2 (C19 H18 N2 OS2)

Compound Name

9-(allylsulfanyl)-8-ethyl-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one

IUPAC name

13-ethyl-14-(prop-2-en-1-ylsulfanyl)-17-thia-1315-diazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(10)2(7)3511(16)14-hexaen-12-one

SMILES

CCN1C(SCC=C)=Nc(sc-2c3CCc4c2cccc4)c3C1=O

InChI

InChI=1S/C19H18N2OS2/c1-3-11-23-19-20-17-15(18(22)21(19)4-2)14-10-9-12-7-5-6-8-13(12)16(14)24-17/h3,5-8H,1,4,9-11H2,2H3

InChI Key

HUABLNWRFDWJNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01992614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.030

Distribution Coefficient, logD

5.030

Water Solubility, LogSw

-4.77

Polar Surface Area

25.590

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

4506-0267 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4506-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4506-0267?
Check Price and Availability of 4506-0267, 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 4506-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4506-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4506-0267
  • 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 4506-0267 available by request