2969-0386 Screening compound: 2-(butylsulfanyl)-3-cyclohexyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

2969-0386 Screening compound: 2-(butylsulfanyl)-3-cyclohexyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2969-0386 Screening compound: 2-(butylsulfanyl)-3-cyclohexyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2969-0386
2-(butylsulfanyl)-3-cyclohexyl-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

2969-0386

Molecular Formula

C20H28N2OS2 (C20 H28 N2 OS2)

Compound Name

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

IUPAC name

5-(butylsulfanyl)-4-cyclohexyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CCCCSC(N1C2CCCCC2)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C20H28N2OS2/c1-2-3-13-24-20-21-18-17(15-11-7-8-12-16(15)25-18)19(23)22(20)14-9-5-4-6-10-14/h14H,2-13H2,1H3

InChI Key

SKWWKOPDZAXNKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01448591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.173

Distribution Coefficient, logD

6.173

Water Solubility, LogSw

-5.34

Polar Surface Area

25.087

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

References: we are preparing a list of scientific research reports with 2969-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2969-0386?
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What is the minimum amount of 2969-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2969-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2969-0386
  • 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 2969-0386 available by request