6408-0156 Screening compound: 1-[4-tert-butyl-5-(4-ethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one

6408-0156 Screening compound: 1-[4-tert-butyl-5-(4-ethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
6408-0156 Screening compound: 1-[4-tert-butyl-5-(4-ethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6408-0156
1-[4-tert-butyl-5-(4-ethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one

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

6408-0156

Molecular Formula

C22H27N3O2 (C22 H27 N3 O2)

Compound Name

1-[4-tert-butyl-5-(4-ethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one

IUPAC name

1-[4-tert-butyl-5-(4-ethoxyphenyl)-1-phenyl-45-dihydro-1H-124-triazol-3-yl]ethan-1-one

SMILES

CCOc1ccc(C2N(c3ccccc3)N=C(C(C)=O)N2C(C)(C)C)cc1

InChI

InChI=1S/C22H27N3O2/c1-6-27-19-14-12-17(13-15-19)21-24(22(3,4)5)20(16(2)26)23-25(21)18-10-8-7-9-11-18/h7-15,21H,6H2,1-5H3/t21-/m1/s1

InChI Key

WIUWKIVQJKJRHG-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03079436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.850

Distribution Coefficient, logD

4.850

Water Solubility, LogSw

-4.53

Polar Surface Area

38.774

Acid Dissociation Constant (pKa)

19.35

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

6408-0156 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6408-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6408-0156?
Check Price and Availability of 6408-0156, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6408-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6408-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6408-0156
  • 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 6408-0156 available by request