K286-3452 Screening compound: 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

K286-3452 Screening compound: 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
K286-3452 Screening compound: 5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-3452
5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-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

K286-3452

Molecular Formula

C20H16ClN3OS3 (C20 H16 ClN3 OS3)

Compound Name

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

IUPAC name

5-{[(2-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

CCc(cc1)ccc1N(C(N=C(NC1=O)SCc(cccc2)c2Cl)=C1S1)C1=S

InChI

InChI=1S/C20H16ClN3OS3/c1-2-12-7-9-14(10-8-12)24-17-16(28-20(24)26)18(25)23-19(22-17)27-11-13-5-3-4-6-15(13)21/h3-10H,2,11H2,1H3,(H,22,23,25)

InChI Key

KOOIXUHNMNMRHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.477

Distribution Coefficient, logD

5.477

Water Solubility, LogSw

-5.86

Polar Surface Area

36.296

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with K286-3452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-3452?
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What is the minimum amount of K286-3452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-3452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-3452
  • 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 K286-3452 available by request