8640-0098 Screening compound: 3,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

8640-0098 Screening compound: 3,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
8640-0098 Screening compound: 3,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0098
3,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

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

8640-0098

Molecular Formula

C12H14N2O3S (C12 H14 N2 O3 S)

Compound Name

3,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

IUPAC name

41212-trimethyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

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

InChI

InChI=1S/C12H14N2O3S/c1-12(2)4-6-7(5-17-12)18-9-8(6)10(15)14(3)11(16)13-9/h4-5H2,1-3H3,(H,13,16)

InChI Key

STJIQIMUBRBSCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01049070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.101

Distribution Coefficient, logD

1.735

Water Solubility, LogSw

-2.50

Polar Surface Area

48.037

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

-8.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8640-0098 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments
Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8640-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0098?
Check Price and Availability of 8640-0098, 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 8640-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0098
  • 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 8640-0098 available by request