K400-08561 Screening compound: 2-(2,4-dichlorophenoxy)-N-{[4-(2,6-diethylphenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide

K400-08561 Screening compound: 2-(2,4-dichlorophenoxy)-N-{[4-(2,6-diethylphenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide
K400-08561 Screening compound: 2-(2,4-dichlorophenoxy)-N-{[4-(2,6-diethylphenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-08561
2-(2,4-dichlorophenoxy)-N-{[4-(2,6-diethylphenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}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

K400-08561

Molecular Formula

C24H28Cl2N4O2S (C24 H28 Cl2 N4 O2 S)

Compound Name

2-(2,4-dichlorophenoxy)-N-{[4-(2,6-diethylphenyl)-5-(propylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide

IUPAC name

2-(24-dichlorophenoxy)-N-{[4-(26-diethylphenyl)-5-(propylsulfanyl)-4H-124-triazol-3-yl]methyl}acetamide

SMILES

CCCSc1nnc(CNC(COc(ccc(Cl)c2)c2Cl)=O)n1-c1c(CC)cccc1CC

InChI

InChI=1S/C24H28Cl2N4O2S/c1-4-12-33-24-29-28-21(30(24)23-16(5-2)8-7-9-17(23)6-3)14-27-22(31)15-32-20-11-10-18(25)13-19(20)26/h7-11,13H,4-6,12,14-15H2,1-3H3,(H,27,31)

InChI Key

RIHWSGLHYBNBCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.144

Distribution Coefficient, logD

6.144

Water Solubility, LogSw

-6.16

Polar Surface Area

57.416

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

K400-08561 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K400-08561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-08561?
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What is the minimum amount of K400-08561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-08561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-08561
  • 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 K400-08561 available by request