2650-9060 Screening compound: 3-allyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

2650-9060 Screening compound: 3-allyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2650-9060 Screening compound: 3-allyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2650-9060
3-allyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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

2650-9060

Molecular Formula

C21H20N2O2S2 (C21 H20 N2 O2 S2)

Compound Name

3-allyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-[(2-oxo-2-phenylethyl)sulfanyl]-4-(prop-2-en-1-yl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

C=CCN1C(SCC(c2ccccc2)=O)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C21H20N2O2S2/c1-2-12-23-20(25)18-15-10-6-7-11-17(15)27-19(18)22-21(23)26-13-16(24)14-8-4-3-5-9-14/h2-5,8-9H,1,6-7,10-13H2

InChI Key

QTZUMIOBKQFPQL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.402

Distribution Coefficient, logD

4.402

Water Solubility, LogSw

-4.57

Polar Surface Area

39.091

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 2650-9060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2650-9060?
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What is the minimum amount of 2650-9060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2650-9060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2650-9060
  • 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 2650-9060 available by request