M754-1440 Screening compound: 4-phenyl-1-{2-[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}-1-butanone

M754-1440 Screening compound: 4-phenyl-1-{2-[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}-1-butanone
M754-1440 Screening compound: 4-phenyl-1-{2-[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M754-1440
4-phenyl-1-{2-[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}-1-butanone

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

M754-1440

Molecular Formula

C22H25N5O (C22 H25 N5 O)

Compound Name

4-phenyl-1-{2-[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]piperidino}-1-butanone

IUPAC name

4-phenyl-1-{2-[5-(pyridin-4-yl)-4H-124-triazol-3-yl]piperidin-1-yl}butan-1-one

SMILES

O=C(CCCc1ccccc1)N(CCCC1)C1c1nnc(-c2ccncc2)[nH]1

InChI

InChI=1S/C22H25N5O/c28-20(11-6-9-17-7-2-1-3-8-17)27-16-5-4-10-19(27)22-24-21(25-26-22)18-12-14-23-15-13-18/h1-3,7-8,12-15,19H,4-6,9-11,16H2,(H,24,25,26)/t19-/m0/s1

InChI Key

WLEDMQNSBRYIOZ-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.120

Distribution Coefficient, logD

3.096

Water Solubility, LogSw

-3.14

Polar Surface Area

58.995

Acid Dissociation Constant (pKa)

4.24

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

M754-1440 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M754-1440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M754-1440?
Check Price and Availability of M754-1440, 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 M754-1440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M754-1440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M754-1440
  • 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 M754-1440 available by request