M754-1266 Screening compound: methyl 4-{[2-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino}benzoate

M754-1266 Screening compound: methyl 4-{[2-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino}benzoate
M754-1266 Screening compound: methyl 4-{[2-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M754-1266
methyl 4-{[2-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino}benzoate

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

M754-1266

Molecular Formula

C22H23N5O3 (C22 H23 N5 O3)

Compound Name

methyl 4-{[2-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino}benzoate

IUPAC name

methyl 4-{[2-(5-phenyl-4H-124-triazol-3-yl)piperidine-1-carbonyl]amino}benzoate

SMILES

COC(c(cc1)ccc1NC(N(CCCC1)C1c1nnc(-c2ccccc2)[nH]1)=O)=O

InChI

InChI=1S/C22H23N5O3/c1-30-21(28)16-10-12-17(13-11-16)23-22(29)27-14-6-5-9-18(27)20-24-19(25-26-20)15-7-3-2-4-8-15/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3,(H,23,29)(H,24,25,26)/t18-/m0/s1

InChI Key

CYIVBEBQCWNFKB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31988996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

3.385

Water Solubility, LogSw

-3.55

Polar Surface Area

80.089

Acid Dissociation Constant (pKa)

5.31

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

M754-1266 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M754-1266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M754-1266?
Check Price and Availability of M754-1266, 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 M754-1266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M754-1266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M754-1266
  • 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 M754-1266 available by request