4386-0417 Screening compound: 2-(allylsulfanyl)-3-phenethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

4386-0417 Screening compound: 2-(allylsulfanyl)-3-phenethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
4386-0417 Screening compound: 2-(allylsulfanyl)-3-phenethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-0417
2-(allylsulfanyl)-3-phenethyl-3,5,6,7-tetrahydro-4H-cyclopenta[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

4386-0417

Molecular Formula

C20H20N2OS2 (C20 H20 N2 OS2)

Compound Name

2-(allylsulfanyl)-3-phenethyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

11-(2-phenylethyl)-10-(prop-2-en-1-ylsulfanyl)-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-12-one

SMILES

C=CCSC(N1CCc2ccccc2)=Nc(sc2c3CCC2)c3C1=O

InChI

InChI=1S/C20H20N2OS2/c1-2-13-24-20-21-18-17(15-9-6-10-16(15)25-18)19(23)22(20)12-11-14-7-4-3-5-8-14/h2-5,7-8H,1,6,9-13H2

InChI Key

VRFMIKRMEWUIIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.024

Distribution Coefficient, logD

5.024

Water Solubility, LogSw

-4.95

Polar Surface Area

26.210

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 4386-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-0417?
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What is the minimum amount of 4386-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-0417
  • 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 4386-0417 available by request