K286-3980 Screening compound: 5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-(4-ethoxyphenyl)-6-(4-methylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

K286-3980 Screening compound: 5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-(4-ethoxyphenyl)-6-(4-methylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
K286-3980 Screening compound: 5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-(4-ethoxyphenyl)-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 K286-3980
5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3-(4-ethoxyphenyl)-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

K286-3980

Molecular Formula

C29H22ClN5O3S3 (C29 H22 ClN5 O3 S3)

Compound Name

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

IUPAC name

5-[({7-chloro-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-3-(4-ethoxyphenyl)-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)SCC(N=C(C=C2)N3C=C2Cl)=CC3=O)=C1S1)C1=S

InChI

InChI=1S/C29H22ClN5O3S3/c1-3-38-22-11-9-20(10-12-22)34-26-25(41-29(34)39)27(37)35(21-7-4-17(2)5-8-21)28(32-26)40-16-19-14-24(36)33-15-18(30)6-13-23(33)31-19/h4-15H,3,16H2,1-2H3

InChI Key

AWLNBGNIOVKOHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

620.18

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.991

Distribution Coefficient, logD

4.991

Water Solubility, LogSw

-4.89

Polar Surface Area

60.584

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

K286-3980 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 K286-3980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-3980?
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What is the minimum amount of K286-3980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-3980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-3980
  • 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 K286-3980 available by request