F081-1115 Screening compound: 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-(2-furylmethyl)acetamide

F081-1115 Screening compound: 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-(2-furylmethyl)acetamide
F081-1115 Screening compound: 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-(2-furylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-1115
2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-(2-furylmethyl)acetamide

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

F081-1115

Molecular Formula

C21H20N4O3S2 (C21 H20 N4 O3 S2)

Compound Name

2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N~1~-(2-furylmethyl)acetamide

IUPAC name

2-({55-dimethyl-6-oxa-17-thia-21214-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)911(16)1214-hexaen-15-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide

SMILES

CC(C)(C1)OCc(cc2c3ncn4)c1nc2sc3c4SCC(NCc1ccco1)=O

InChI

InChI=1S/C21H20N4O3S2/c1-21(2)7-15-12(9-28-21)6-14-17-18(30-19(14)25-15)20(24-11-23-17)29-10-16(26)22-8-13-4-3-5-27-13/h3-6,11H,7-10H2,1-2H3,(H,22,26)

InChI Key

JJYUYDOGIPUCJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05687112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.097

Distribution Coefficient, logD

4.093

Water Solubility, LogSw

-4.25

Polar Surface Area

71.453

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F081-1115 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F081-1115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-1115?
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What is the minimum amount of F081-1115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-1115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-1115
  • 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 F081-1115 available by request