K786-0301 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide

K786-0301 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide
K786-0301 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0301
2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide

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

K786-0301

Molecular Formula

C23H22ClN5OS2 (C23 H22 ClN5 OS2)

Compound Name

2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-({6-[(2-chlorophenyl)methyl]-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

Cc1c(Cc(cccc2)c2Cl)c(C)nc2nc(SCC(Nc3cc(SC)ccc3)=O)nn12

InChI

InChI=1S/C23H22ClN5OS2/c1-14-19(11-16-7-4-5-10-20(16)24)15(2)29-22(25-14)27-23(28-29)32-13-21(30)26-17-8-6-9-18(12-17)31-3/h4-10,12H,11,13H2,1-3H3,(H,26,30)

InChI Key

SUCZTISQYPVFSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.196

Distribution Coefficient, logD

5.196

Water Solubility, LogSw

-5.62

Polar Surface Area

52.704

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

K786-0301 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K786-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0301?
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What is the minimum amount of K786-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0301
  • 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 K786-0301 available by request