3966-0911 Screening compound: 8-(cyclohexylmethyl)-9-(ethylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one

3966-0911 Screening compound: 8-(cyclohexylmethyl)-9-(ethylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
3966-0911 Screening compound: 8-(cyclohexylmethyl)-9-(ethylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-0911
8-(cyclohexylmethyl)-9-(ethylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-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

3966-0911

Molecular Formula

C23H26N2OS2 (C23 H26 N2 OS2)

Compound Name

8-(cyclohexylmethyl)-9-(ethylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one

IUPAC name

13-(cyclohexylmethyl)-14-(ethylsulfanyl)-17-thia-1315-diazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(10)2(7)3511(16)14-hexaen-12-one

SMILES

CCSC(N1CC2CCCCC2)=Nc(sc-2c3CCc4c2cccc4)c3C1=O

InChI

InChI=1S/C23H26N2OS2/c1-2-27-23-24-21-19(22(26)25(23)14-15-8-4-3-5-9-15)18-13-12-16-10-6-7-11-17(16)20(18)28-21/h6-7,10-11,15H,2-5,8-9,12-14H2,1H3

InChI Key

VGDLYYNGFHYXJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01992584

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

6.824

Distribution Coefficient, logD

6.824

Water Solubility, LogSw

-5.78

Polar Surface Area

25.786

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with 3966-0911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-0911?
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What is the minimum amount of 3966-0911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-0911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-0911
  • 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 3966-0911 available by request