K286-4030 Screening compound: 3-(4-ethoxyphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

K286-4030 Screening compound: 3-(4-ethoxyphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
K286-4030 Screening compound: 3-(4-ethoxyphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-4030
3-(4-ethoxyphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-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

K286-4030

Molecular Formula

C27H22FN3O2S3 (C27 H22 FN3 O2 S3)

Compound Name

3-(4-ethoxyphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

3-(4-ethoxyphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

CCOc(cc1)ccc1N(C(N=C(N(c1ccc(C)cc1)C1=O)SCc2cc(F)ccc2)=C1S1)C1=S

InChI

InChI=1S/C27H22FN3O2S3/c1-3-33-22-13-11-20(12-14-22)30-24-23(36-27(30)34)25(32)31(21-9-7-17(2)8-10-21)26(29-24)35-16-18-5-4-6-19(28)15-18/h4-15H,3,16H2,1-2H3

InChI Key

IYFFJMBDIHCFJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.424

Distribution Coefficient, logD

6.424

Water Solubility, LogSw

-5.61

Polar Surface Area

34.078

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-7.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

K286-4030 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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 K286-4030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-4030?
Check Price and Availability of K286-4030, 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 K286-4030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-4030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-4030
  • 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 K286-4030 available by request