K286-0488 Screening compound: 5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(2-ethoxyphenyl)-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

K286-0488 Screening compound: 5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(2-ethoxyphenyl)-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
K286-0488 Screening compound: 5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(2-ethoxyphenyl)-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-0488
5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(2-ethoxyphenyl)-6-phenyl-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

K286-0488

Molecular Formula

C23H21N3O4S3 (C23 H21 N3 O4 S3)

Compound Name

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

IUPAC name

5-{[(13-dioxolan-2-yl)methyl]sulfanyl}-3-(2-ethoxyphenyl)-6-phenyl-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

CCOc(cccc1)c1N(C(N=C(N(c1ccccc1)C1=O)SCC2OCCO2)=C1S1)C1=S

InChI

InChI=1S/C23H21N3O4S3/c1-2-28-17-11-7-6-10-16(17)26-20-19(33-23(26)31)21(27)25(15-8-4-3-5-9-15)22(24-20)32-14-18-29-12-13-30-18/h3-11,18H,2,12-14H2,1H3

InChI Key

VFDKXDXOYLLEAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.730

Distribution Coefficient, logD

3.730

Water Solubility, LogSw

-3.98

Polar Surface Area

51.402

Acid Dissociation Constant (pKa)

27.71

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

K286-0488 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K286-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-0488?
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What is the minimum amount of K286-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-0488
  • 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 K286-0488 available by request