M059-0048 Screening compound: 2-(pyrrolidin-1-yl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-imidazole

M059-0048 Screening compound: 2-(pyrrolidin-1-yl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-imidazole
M059-0048 Screening compound: 2-(pyrrolidin-1-yl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M059-0048
2-(pyrrolidin-1-yl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-imidazole

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

M059-0048

Molecular Formula

C17H23N3O4 (C17 H23 N3 O4)

Compound Name

2-(pyrrolidin-1-yl)-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-imidazole

IUPAC name

2-(pyrrolidin-1-yl)-1-(345-trimethoxybenzoyl)-45-dihydro-1H-imidazole

SMILES

COc1cc(C(N2C(N3CCCC3)=NCC2)=O)cc(OC)c1OC

InChI

InChI=1S/C17H23N3O4/c1-22-13-10-12(11-14(23-2)15(13)24-3)16(21)20-9-6-18-17(20)19-7-4-5-8-19/h10-11H,4-9H2,1-3H3

InChI Key

VJAAAOMNIAPQLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.779

Distribution Coefficient, logD

1.771

Water Solubility, LogSw

-2.09

Polar Surface Area

53.238

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

M059-0048 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M059-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M059-0048?
Check Price and Availability of M059-0048, 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 M059-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M059-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M059-0048
  • 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 M059-0048 available by request