K286-4298 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

K286-4298 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
K286-4298 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-4298
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

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

K286-4298

Molecular Formula

C28H29FN4O5S3 (C28 H29 FN4 O5 S3)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-{[6-(4-fluorophenyl)-7-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetamide

SMILES

COc(ccc(CCNC(CSC(N(c(cc1)ccc1F)C1=O)=NC(N2CC3OCCC3)=C1SC2=S)=O)c1)c1OC

InChI

InChI=1S/C28H29FN4O5S3/c1-36-21-10-5-17(14-22(21)37-2)11-12-30-23(34)16-40-27-31-25-24(26(35)33(27)19-8-6-18(29)7-9-19)41-28(39)32(25)15-20-4-3-13-38-20/h5-10,14,20H,3-4,11-13,15-16H2,1-2H3,(H,30,34)/t20-/m1/s1

InChI Key

BGDZUKBSOHXWDZ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD15091092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

616.76

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.828

Distribution Coefficient, logD

2.828

Water Solubility, LogSw

-3.32

Polar Surface Area

75.794

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

K286-4298 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K286-4298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-4298?
Check Price and Availability of K286-4298, 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 K286-4298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-4298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-4298
  • 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 K286-4298 available by request