K286-1072 Screening compound: 2-{[3-(3,4-dimethylphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid

K286-1072 Screening compound: 2-{[3-(3,4-dimethylphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid
K286-1072 Screening compound: 2-{[3-(3,4-dimethylphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-1072
2-{[3-(3,4-dimethylphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-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

K286-1072

Molecular Formula

C21H16FN3O3S3 (C21 H16 FN3 O3 S3)

Compound Name

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

IUPAC name

2-{[3-(34-dimethylphenyl)-6-(2-fluorophenyl)-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetic acid

SMILES

Cc(cc1)c(C)cc1N(C(N=C(N(c(cccc1)c1F)C1=O)SCC(O)=O)=C1S1)C1=S

InChI

InChI=1S/C21H16FN3O3S3/c1-11-7-8-13(9-12(11)2)24-18-17(31-21(24)29)19(28)25(15-6-4-3-5-14(15)22)20(23-18)30-10-16(26)27/h3-9H,10H2,1-2H3,(H,26,27)

InChI Key

CWWRJKOCLCEVMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03030112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.180

Distribution Coefficient, logD

1.600

Water Solubility, LogSw

-4.21

Polar Surface Area

55.309

Acid Dissociation Constant (pKa)

4.82

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K286-1072 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K286-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-1072?
Check Price and Availability of K286-1072, 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 K286-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-1072
  • 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 K286-1072 available by request