7259-6186 Screening compound: 2-(3,5-dimethylphenoxy)-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)acetamide

7259-6186 Screening compound: 2-(3,5-dimethylphenoxy)-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)acetamide
7259-6186 Screening compound: 2-(3,5-dimethylphenoxy)-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7259-6186
2-(3,5-dimethylphenoxy)-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}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

7259-6186

Molecular Formula

C21H21N5O2S (C21 H21 N5 O2 S)

Compound Name

2-(3,5-dimethylphenoxy)-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)acetamide

IUPAC name

2-(35-dimethylphenoxy)-N-(2-methyl-5-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)acetamide

SMILES

Cc1nnc2sc(-c3cc(NC(COc4cc(C)cc(C)c4)=O)c(C)cc3)nn12

InChI

InChI=1S/C21H21N5O2S/c1-12-7-13(2)9-17(8-12)28-11-19(27)22-18-10-16(6-5-14(18)3)20-25-26-15(4)23-24-21(26)29-20/h5-10H,11H2,1-4H3,(H,22,27)

InChI Key

KDGKWYUBUNCUHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04400231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-3.76

Polar Surface Area

64.449

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

7259-6186 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 7259-6186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7259-6186?
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What is the minimum amount of 7259-6186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7259-6186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7259-6186
  • 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 7259-6186 available by request