M712-0861 Screening compound: N-[(2-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzamide

M712-0861 Screening compound: N-[(2-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzamide
M712-0861 Screening compound: N-[(2-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M712-0861
N-[(2-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzamide

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

M712-0861

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

N-[(2-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzamide

IUPAC name

N-[(2-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)-25-dioxo-25-dihydro-1H-pyrrol-1-yl]benzamide

SMILES

CC(CC1)CCN1C(C(N1c(cc2)ccc2C(NCc2c(C)cccc2)=O)=O)=CC1=O

InChI

InChI=1S/C25H27N3O3/c1-17-11-13-27(14-12-17)22-15-23(29)28(25(22)31)21-9-7-19(8-10-21)24(30)26-16-20-6-4-3-5-18(20)2/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,30)

InChI Key

AMAIFIHLYICKLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27551897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.476

Distribution Coefficient, logD

3.474

Water Solubility, LogSw

-3.47

Polar Surface Area

57.022

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

-7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

M712-0861 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M712-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M712-0861?
Check Price and Availability of M712-0861, 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 M712-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M712-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M712-0861
  • 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 M712-0861 available by request