F081-1311 Screening compound: 8,8-dimethyl-3-(4-oxopentyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F081-1311 Screening compound: 8,8-dimethyl-3-(4-oxopentyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F081-1311 Screening compound: 8,8-dimethyl-3-(4-oxopentyl)-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 F081-1311
8,8-dimethyl-3-(4-oxopentyl)-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

F081-1311

Molecular Formula

C19H21N3O3S (C19 H21 N3 O3 S)

Compound Name

8,8-dimethyl-3-(4-oxopentyl)-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-(4-oxopentyl)-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)12-pentaen-15-one

SMILES

CC(C)(C1)OCc(cc23)c1nc2sc1c3N=CN(CCCC(C)=O)C1=O

InChI

InChI=1S/C19H21N3O3S/c1-11(23)5-4-6-22-10-20-15-13-7-12-9-25-19(2,3)8-14(12)21-17(13)26-16(15)18(22)24/h7,10H,4-6,8-9H2,1-3H3

InChI Key

JNNACLFAKXCIPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04166282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.790

Distribution Coefficient, logD

1.790

Water Solubility, LogSw

-2.16

Polar Surface Area

56.511

Acid Dissociation Constant (pKa)

21.98

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with F081-1311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-1311?
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What is the minimum amount of F081-1311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-1311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-1311
  • 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 F081-1311 available by request