K286-0471 Screening compound: 5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

K286-0471 Screening compound: 5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
K286-0471 Screening compound: 5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-0471
5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-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

K286-0471

Molecular Formula

C25H24FN3O3S3 (C25 H24 FN3 O3 S3)

Compound Name

5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

5-[(33-dimethyl-2-oxobutyl)sulfanyl]-3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

CCOc(cccc1)c1N(C(N=C(N(c(cc1)ccc1F)C1=O)SCC(C(C)(C)C)=O)=C1S1)C1=S

InChI

InChI=1S/C25H24FN3O3S3/c1-5-32-18-9-7-6-8-17(18)29-21-20(35-24(29)33)22(31)28(16-12-10-15(26)11-13-16)23(27-21)34-14-19(30)25(2,3)4/h6-13H,5,14H2,1-4H3

InChI Key

NWBGFLSDIDAGQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.387

Distribution Coefficient, logD

5.387

Water Solubility, LogSw

-5.39

Polar Surface Area

47.382

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

K286-0471 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K286-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-0471?
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What is the minimum amount of K286-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-0471
  • 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 K286-0471 available by request