3455-0445 Screening compound: 9-(benzylsulfanyl)-8-ethyl-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one

3455-0445 Screening compound: 9-(benzylsulfanyl)-8-ethyl-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
3455-0445 Screening compound: 9-(benzylsulfanyl)-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 3455-0445
9-(benzylsulfanyl)-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

3455-0445

Molecular Formula

C23H20N2OS2 (C23 H20 N2 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCN1C(SCc2ccccc2)=Nc(sc-2c3CCc4c2cccc4)c3C1=O

InChI

InChI=1S/C23H20N2OS2/c1-2-25-22(26)19-18-13-12-16-10-6-7-11-17(16)20(18)28-21(19)24-23(25)27-14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3

InChI Key

UVCLEAHIPOZXCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01992647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.56

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

5.515

Distribution Coefficient, logD

5.515

Water Solubility, LogSw

-5.47

Polar Surface Area

25.319

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 3455-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-0445?
Check Price and Availability of 3455-0445, 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 3455-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-0445
  • 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 3455-0445 available by request