K286-3603 Screening compound: ethyl 4-{[3-(3,4-dimethylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate

K286-3603 Screening compound: ethyl 4-{[3-(3,4-dimethylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
K286-3603 Screening compound: ethyl 4-{[3-(3,4-dimethylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-3603
ethyl 4-{[3-(3,4-dimethylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate

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

K286-3603

Molecular Formula

C19H19N3O4S3 (C19 H19 N3 O4 S3)

Compound Name

ethyl 4-{[3-(3,4-dimethylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate

IUPAC name

ethyl 4-{[3-(34-dimethylphenyl)-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate

SMILES

CCOC(CC(CSC(NC1=O)=NC(N2c3cc(C)c(C)cc3)=C1SC2=S)=O)=O

InChI

InChI=1S/C19H19N3O4S3/c1-4-26-14(24)8-13(23)9-28-18-20-16-15(17(25)21-18)29-19(27)22(16)12-6-5-10(2)11(3)7-12/h5-7H,4,8-9H2,1-3H3,(H,20,21,25)

InChI Key

HWVNROCGWHZWDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05024736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.23

Polar Surface Area

69.482

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

K286-3603 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K286-3603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-3603?
Check Price and Availability of K286-3603, 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 K286-3603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-3603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-3603
  • 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 K286-3603 available by request