M712-0880 Screening compound: N-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzamide

M712-0880 Screening compound: N-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzamide
M712-0880 Screening compound: N-[(3-chlorophenyl)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 M712-0880
N-[(3-chlorophenyl)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

M712-0880

Molecular Formula

C24H24ClN3O3 (C24 H24 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(C(N1c(cc2)ccc2C(NCc2cccc(Cl)c2)=O)=O)=CC1=O

InChI

InChI=1S/C24H24ClN3O3/c1-16-9-11-27(12-10-16)21-14-22(29)28(24(21)31)20-7-5-18(6-8-20)23(30)26-15-17-3-2-4-19(25)13-17/h2-8,13-14,16H,9-12,15H2,1H3,(H,26,30)

InChI Key

VUYNLEWNCKZBON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27551899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.93

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

3.285

Distribution Coefficient, logD

3.283

Water Solubility, LogSw

-3.80

Polar Surface Area

57.022

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

M712-0880 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

KRAS-Targeted Library (16000 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M712-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M712-0880?
Check Price and Availability of M712-0880, 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 M712-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M712-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M712-0880
  • 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 M712-0880 available by request