K286-3944 Screening compound: 6-(2-methoxyphenyl)-3-(2-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

K286-3944 Screening compound: 6-(2-methoxyphenyl)-3-(2-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
K286-3944 Screening compound: 6-(2-methoxyphenyl)-3-(2-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-3944
6-(2-methoxyphenyl)-3-(2-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-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

K286-3944

Molecular Formula

C26H20N4O4S3 (C26 H20 N4 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1N(C(N=C(N(c(cccc1)c1OC)C1=O)SCc2cc([N+]([O-])=O)ccc2)=C1S1)C1=S

InChI

InChI=1S/C26H20N4O4S3/c1-16-8-3-4-11-19(16)28-23-22(37-26(28)35)24(31)29(20-12-5-6-13-21(20)34-2)25(27-23)36-15-17-9-7-10-18(14-17)30(32)33/h3-14H,15H2,1-2H3

InChI Key

ZLXFHUBEMXXAKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.67

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.659

Distribution Coefficient, logD

5.659

Water Solubility, LogSw

-5.40

Polar Surface Area

67.365

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

K286-3944 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 K286-3944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-3944?
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What is the minimum amount of K286-3944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-3944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-3944
  • 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 K286-3944 available by request