3525-0046 Screening compound: N-(2,3-dimethylphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

3525-0046 Screening compound: N-(2,3-dimethylphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
3525-0046 Screening compound: N-(2,3-dimethylphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3525-0046
N-(2,3-dimethylphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]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

3525-0046

Molecular Formula

C25H22N4OS (C25 H22 N4 OS)

Compound Name

N-(2,3-dimethylphenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

IUPAC name

N-(23-dimethylphenyl)-2-[(56-diphenyl-124-triazin-3-yl)sulfanyl]acetamide

SMILES

Cc1cccc(NC(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)=O)c1C

InChI

InChI=1S/C25H22N4OS/c1-17-10-9-15-21(18(17)2)26-22(30)16-31-25-27-23(19-11-5-3-6-12-19)24(28-29-25)20-13-7-4-8-14-20/h3-15H,16H2,1-2H3,(H,26,30)

InChI Key

JKBJKRKKFFXXIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01629825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.053

Distribution Coefficient, logD

5.053

Water Solubility, LogSw

-4.58

Polar Surface Area

53.837

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 3525-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3525-0046?
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What is the minimum amount of 3525-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3525-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3525-0046
  • 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 3525-0046 available by request