K786-0297 Screening compound: 2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide

K786-0297 Screening compound: 2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
K786-0297 Screening compound: 2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0297
2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(2,4-dimethylphenyl)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

K786-0297

Molecular Formula

C25H27N5OS (C25 H27 N5 OS)

Compound Name

2-({5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide

IUPAC name

2-({57-dimethyl-6-[(4-methylphenyl)methyl]-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-(24-dimethylphenyl)acetamide

SMILES

Cc1ccc(Cc(c(C)nc2n3)c(C)n2nc3SCC(Nc2c(C)cc(C)cc2)=O)cc1

InChI

InChI=1S/C25H27N5OS/c1-15-6-9-20(10-7-15)13-21-18(4)26-24-28-25(29-30(24)19(21)5)32-14-23(31)27-22-11-8-16(2)12-17(22)3/h6-12H,13-14H2,1-5H3,(H,27,31)

InChI Key

NPRQEXJFBMULCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.62

Polar Surface Area

52.006

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with K786-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0297?
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What is the minimum amount of K786-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0297
  • 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 K786-0297 available by request