F081-0925 Screening compound: 2,8,8-trimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

F081-0925 Screening compound: 2,8,8-trimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
F081-0925 Screening compound: 2,8,8-trimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-0925
2,8,8-trimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

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

F081-0925

Molecular Formula

C20H25N3OS2 (C20 H25 N3 OS2)

Compound Name

2,8,8-trimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

IUPAC name

5513-trimethyl-15-(pentylsulfanyl)-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)1214-hexaene

SMILES

CCCCCSc1c2sc3nc(CC(C)(C)OC4)c4cc3c2nc(C)n1

InChI

InChI=1S/C20H25N3OS2/c1-5-6-7-8-25-19-17-16(21-12(2)22-19)14-9-13-11-24-20(3,4)10-15(13)23-18(14)26-17/h9H,5-8,10-11H2,1-4H3

InChI Key

ZSYQWMHQXKTQFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03684382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.230

Distribution Coefficient, logD

6.226

Water Solubility, LogSw

-5.34

Polar Surface Area

37.878

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

F081-0925 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F081-0925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-0925?
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What is the minimum amount of F081-0925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-0925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-0925
  • 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 F081-0925 available by request