M754-1598 Screening compound: 2-{5-[1-(3-methoxybenzoyl)piperidin-2-yl]-4H-1,2,4-triazol-3-yl}pyrazine

M754-1598 Screening compound: 2-{5-[1-(3-methoxybenzoyl)piperidin-2-yl]-4H-1,2,4-triazol-3-yl}pyrazine
M754-1598 Screening compound: 2-{5-[1-(3-methoxybenzoyl)piperidin-2-yl]-4H-1,2,4-triazol-3-yl}pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M754-1598
2-{5-[1-(3-methoxybenzoyl)piperidin-2-yl]-4H-1,2,4-triazol-3-yl}pyrazine

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

M754-1598

Molecular Formula

C19H20N6O2 (C19 H20 N6 O2)

Compound Name

2-{5-[1-(3-methoxybenzoyl)piperidin-2-yl]-4H-1,2,4-triazol-3-yl}pyrazine

IUPAC name

2-{5-[1-(3-methoxybenzoyl)piperidin-2-yl]-4H-124-triazol-3-yl}pyrazine

SMILES

COc1cccc(C(N(CCCC2)C2c2nnc(-c3nccnc3)[nH]2)=O)c1

InChI

InChI=1S/C19H20N6O2/c1-27-14-6-4-5-13(11-14)19(26)25-10-3-2-7-16(25)18-22-17(23-24-18)15-12-20-8-9-21-15/h4-6,8-9,11-12,16H,2-3,7,10H2,1H3,(H,22,23,24)

InChI Key

FTJIZKMKKRIJNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.246

Distribution Coefficient, logD

1.175

Water Solubility, LogSw

-1.48

Polar Surface Area

76.203

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

M754-1598 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M754-1598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M754-1598?
Check Price and Availability of M754-1598, 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 M754-1598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M754-1598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M754-1598
  • 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 M754-1598 available by request