F081-0879 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]acetic acid

F081-0879 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]acetic acid
F081-0879 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]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F081-0879
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]acetic acid

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

F081-0879

Molecular Formula

C16H15N3O3S2 (C16 H15 N3 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]acetic acid

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)acetic acid

SMILES

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

InChI

InChI=1S/C16H15N3O3S2/c1-16(2)4-10-8(5-22-16)3-9-12-13(24-14(9)19-10)15(18-7-17-12)23-6-11(20)21/h3,7H,4-6H2,1-2H3,(H,20,21)

InChI Key

SMEFTQRZRAECCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03290914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.755

Distribution Coefficient, logD

-0.710

Water Solubility, LogSw

-2.60

Polar Surface Area

67.888

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F081-0879 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F081-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F081-0879?
Check Price and Availability of F081-0879, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F081-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F081-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F081-0879
  • 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 F081-0879 available by request