2969-0267 Screening compound: 2-(benzylsulfanyl)-3-cyclohexyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

2969-0267 Screening compound: 2-(benzylsulfanyl)-3-cyclohexyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2969-0267 Screening compound: 2-(benzylsulfanyl)-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 2969-0267
2-(benzylsulfanyl)-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

2969-0267

Molecular Formula

C23H26N2OS2 (C23 H26 N2 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(C2CCCCC2)C(SCc2ccccc2)=Nc2c1c(CCCC1)c1s2

InChI

InChI=1S/C23H26N2OS2/c26-22-20-18-13-7-8-14-19(18)28-21(20)24-23(25(22)17-11-5-2-6-12-17)27-15-16-9-3-1-4-10-16/h1,3-4,9-10,17H,2,5-8,11-15H2

InChI Key

SFOBWHITSBVELB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01557890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.855

Distribution Coefficient, logD

5.855

Water Solubility, LogSw

-5.73

Polar Surface Area

24.816

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with 2969-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2969-0267?
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What is the minimum amount of 2969-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2969-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2969-0267
  • 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 2969-0267 available by request