7259-6183 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)acetamide

7259-6183 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)acetamide
7259-6183 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-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 7259-6183
2-[5-methyl-2-(propan-2-yl)phenoxy]-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

7259-6183

Molecular Formula

C23H25N5O2S (C23 H25 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(ccc(C)c1)c1OCC(Nc1c(C)ccc(-c(s2)nn3c2nnc3C)c1)=O

InChI

InChI=1S/C23H25N5O2S/c1-13(2)18-9-6-14(3)10-20(18)30-12-21(29)24-19-11-17(8-7-15(19)4)22-27-28-16(5)25-26-23(28)31-22/h6-11,13H,12H2,1-5H3,(H,24,29)

InChI Key

BLUIYMDMDOBHJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04393185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.26

Polar Surface Area

64.536

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

7259-6183 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 7259-6183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7259-6183?
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What is the minimum amount of 7259-6183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7259-6183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7259-6183
  • 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 7259-6183 available by request