8640-0467 Screening compound: [(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl cyanide

8640-0467 Screening compound: [(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl cyanide
8640-0467 Screening compound: [(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0467
[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl cyanide

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

8640-0467

Molecular Formula

C19H17N3O2S2 (C19 H17 N3 O2 S2)

Compound Name

[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl cyanide

IUPAC name

2-({1212-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl}sulfanyl)acetonitrile

SMILES

CC(C)(C1)OCc2c1c(C(N(c1ccccc1)C(SCC#N)=N1)=O)c1s2

InChI

InChI=1S/C19H17N3O2S2/c1-19(2)10-13-14(11-24-19)26-16-15(13)17(23)22(12-6-4-3-5-7-12)18(21-16)25-9-8-20/h3-7H,9-11H2,1-2H3

InChI Key

MHIKZSJZGMJXTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01558696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.333

Distribution Coefficient, logD

3.333

Water Solubility, LogSw

-3.68

Polar Surface Area

50.443

Acid Dissociation Constant (pKa)

25.82

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

8640-0467 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8640-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0467?
Check Price and Availability of 8640-0467, 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 8640-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0467
  • 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 8640-0467 available by request