F081-1310 Screening compound: 8,8-dimethyl-3-[2-(4-methylpiperidino)-2-oxoethyl]-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F081-1310 Screening compound: 8,8-dimethyl-3-[2-(4-methylpiperidino)-2-oxoethyl]-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F081-1310 Screening compound: 8,8-dimethyl-3-[2-(4-methylpiperidino)-2-oxoethyl]-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-1310
8,8-dimethyl-3-[2-(4-methylpiperidino)-2-oxoethyl]-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-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

F081-1310

Molecular Formula

C22H26N4O3S (C22 H26 N4 O3 S)

Compound Name

8,8-dimethyl-3-[2-(4-methylpiperidino)-2-oxoethyl]-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

55-dimethyl-14-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)12-pentaen-15-one

SMILES

CC(CC1)CCN1C(CN(C=Nc1c2sc3nc(CC(C)(C)OC4)c4cc13)C2=O)=O

InChI

InChI=1S/C22H26N4O3S/c1-13-4-6-25(7-5-13)17(27)10-26-12-23-18-15-8-14-11-29-22(2,3)9-16(14)24-20(15)30-19(18)21(26)28/h8,12-13H,4-7,9-11H2,1-3H3

InChI Key

IDGSORZZYUMNCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04193880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.666

Distribution Coefficient, logD

2.666

Water Solubility, LogSw

-2.95

Polar Surface Area

59.318

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

F081-1310 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F081-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-1310?
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What is the minimum amount of F081-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-1310
  • 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 F081-1310 available by request