M401-0014 Screening compound: N-[(3-chlorophenyl)methyl]-2-[4-oxo-2-(piperidin-1-yl)-3,4-dihydroquinazolin-3-yl]acetamide

M401-0014 Screening compound: N-[(3-chlorophenyl)methyl]-2-[4-oxo-2-(piperidin-1-yl)-3,4-dihydroquinazolin-3-yl]acetamide
M401-0014 Screening compound: N-[(3-chlorophenyl)methyl]-2-[4-oxo-2-(piperidin-1-yl)-3,4-dihydroquinazolin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M401-0014
N-[(3-chlorophenyl)methyl]-2-[4-oxo-2-(piperidin-1-yl)-3,4-dihydroquinazolin-3-yl]acetamide

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

M401-0014

Molecular Formula

C22H23ClN4O2 (C22 H23 ClN4 O2)

Compound Name

N-[(3-chlorophenyl)methyl]-2-[4-oxo-2-(piperidin-1-yl)-3,4-dihydroquinazolin-3-yl]acetamide

IUPAC name

N-[(3-chlorophenyl)methyl]-2-[4-oxo-2-(piperidin-1-yl)-34-dihydroquinazolin-3-yl]acetamide

SMILES

O=C(CN1C(N2CCCCC2)=Nc(cccc2)c2C1=O)NCc1cccc(Cl)c1

InChI

InChI=1S/C22H23ClN4O2/c23-17-8-6-7-16(13-17)14-24-20(28)15-27-21(29)18-9-2-3-10-19(18)25-22(27)26-11-4-1-5-12-26/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H,24,28)

InChI Key

RAMAPQQCPSVPKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.252

Distribution Coefficient, logD

3.252

Water Solubility, LogSw

-3.80

Polar Surface Area

53.294

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

M401-0014 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with M401-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M401-0014?
Check Price and Availability of M401-0014, 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 M401-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M401-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M401-0014
  • 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 M401-0014 available by request