4149-0242 Screening compound: 6-isopropyl-2-[(2-methylallyl)sulfanyl]-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

4149-0242 Screening compound: 6-isopropyl-2-[(2-methylallyl)sulfanyl]-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
4149-0242 Screening compound: 6-isopropyl-2-[(2-methylallyl)sulfanyl]-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4149-0242
6-isopropyl-2-[(2-methylallyl)sulfanyl]-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-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

4149-0242

Molecular Formula

C22H24N2O2S2 (C22 H24 N2 O2 S2)

Compound Name

6-isopropyl-2-[(2-methylallyl)sulfanyl]-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

5-[(2-methylprop-2-en-1-yl)sulfanyl]-4-phenyl-12-(propan-2-yl)-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

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

InChI

InChI=1S/C22H24N2O2S2/c1-13(2)12-27-22-23-20-19(21(25)24(22)15-8-6-5-7-9-15)16-10-17(14(3)4)26-11-18(16)28-20/h5-9,14,17H,1,10-12H2,2-4H3/t17-/m1/s1

InChI Key

ZWJJLIPCYDQSEP-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02986238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.496

Distribution Coefficient, logD

5.496

Water Solubility, LogSw

-5.50

Polar Surface Area

33.606

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

4149-0242 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 4149-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4149-0242?
Check Price and Availability of 4149-0242, 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 4149-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4149-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4149-0242
  • 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 4149-0242 available by request