3473-0465 Screening compound: 3-benzyl-2-(methylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

3473-0465 Screening compound: 3-benzyl-2-(methylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
3473-0465 Screening compound: 3-benzyl-2-(methylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3473-0465
3-benzyl-2-(methylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-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

3473-0465

Molecular Formula

C19H20N2OS2 (C19 H20 N2 OS2)

Compound Name

3-benzyl-2-(methylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

4-benzyl-5-(methylsulfanyl)-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)5-trien-3-one

SMILES

CSC(N1Cc2ccccc2)=Nc(sc2c3CCCCC2)c3C1=O

InChI

InChI=1S/C19H20N2OS2/c1-23-19-20-17-16(14-10-6-3-7-11-15(14)24-17)18(22)21(19)12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3

InChI Key

GYBUEXLWWGLVSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01875907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.066

Distribution Coefficient, logD

5.066

Water Solubility, LogSw

-4.72

Polar Surface Area

26.196

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

3473-0465 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3473-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3473-0465?
Check Price and Availability of 3473-0465, 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 3473-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3473-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3473-0465
  • 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 3473-0465 available by request