8010-4744 Screening compound: 2-(allylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

8010-4744 Screening compound: 2-(allylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
8010-4744 Screening compound: 2-(allylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4744
2-(allylsulfanyl)-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

8010-4744

Molecular Formula

C13H14N2OS2 (C13 H14 N2 OS2)

Compound Name

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

IUPAC name

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

SMILES

C=CCSC(N1)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C13H14N2OS2/c1-2-7-17-13-14-11(16)10-8-5-3-4-6-9(8)18-12(10)15-13/h2H,1,3-7H2,(H,14,15,16)

InChI Key

WYDTWWVPNRWSAO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.488

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-3.95

Polar Surface Area

34.595

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 8010-4744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4744?
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What is the minimum amount of 8010-4744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4744
  • 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 8010-4744 available by request