K286-3304 Screening compound: 3-(2,4-dimethylphenyl)-6-(4-ethoxyphenyl)-2,5-disulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

K286-3304 Screening compound: 3-(2,4-dimethylphenyl)-6-(4-ethoxyphenyl)-2,5-disulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
K286-3304 Screening compound: 3-(2,4-dimethylphenyl)-6-(4-ethoxyphenyl)-2,5-disulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-3304
3-(2,4-dimethylphenyl)-6-(4-ethoxyphenyl)-2,5-disulfanylidene-2H,3H,4H,5H,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

K286-3304

Molecular Formula

C21H19N3O2S3 (C21 H19 N3 O2 S3)

Compound Name

3-(2,4-dimethylphenyl)-6-(4-ethoxyphenyl)-2,5-disulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

3-(24-dimethylphenyl)-6-(4-ethoxyphenyl)-25-disulfanylidene-2H3H4H5H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

CCOc(cc1)ccc1N(C(C(SC1=S)=C(N2)N1c1c(C)cc(C)cc1)=O)C2=S

InChI

InChI=1S/C21H19N3O2S3/c1-4-26-15-8-6-14(7-9-15)23-19(25)17-18(22-20(23)27)24(21(28)29-17)16-10-5-12(2)11-13(16)3/h5-11H,4H2,1-3H3,(H,22,27)

InChI Key

WADXIJZVJHIVDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090502

Chemical and Physical Properties

Saltdata

(C2H5)3N

Molecular Weight

441.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.064

Distribution Coefficient, logD

5.064

Water Solubility, LogSw

-4.64

Polar Surface Area

35.324

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

K286-3304 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 K286-3304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-3304?
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What is the minimum amount of K286-3304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-3304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-3304
  • 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 K286-3304 available by request