M057-2224 Screening compound: 4-propyl-N-[2-(pyridin-2-yl)ethyl]-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide

M057-2224 Screening compound: 4-propyl-N-[2-(pyridin-2-yl)ethyl]-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
M057-2224 Screening compound: 4-propyl-N-[2-(pyridin-2-yl)ethyl]-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M057-2224
4-propyl-N-[2-(pyridin-2-yl)ethyl]-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide

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

M057-2224

Molecular Formula

C18H20N4OS (C18 H20 N4 OS)

Compound Name

4-propyl-N-[2-(pyridin-2-yl)ethyl]-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide

IUPAC name

4-propyl-N-[2-(pyridin-2-yl)ethyl]-2-(1H-pyrrol-1-yl)-13-thiazole-5-carboxamide

SMILES

CCCc1c(C(NCCc2ncccc2)=O)sc(-n2cccc2)n1

InChI

InChI=1S/C18H20N4OS/c1-2-7-15-16(24-18(21-15)22-12-5-6-13-22)17(23)20-11-9-14-8-3-4-10-19-14/h3-6,8,10,12-13H,2,7,9,11H2,1H3,(H,20,23)

InChI Key

NXYHJBBJNMCHEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.480

Distribution Coefficient, logD

3.474

Water Solubility, LogSw

-3.65

Polar Surface Area

49.108

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

M057-2224 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M057-2224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M057-2224?
Check Price and Availability of M057-2224, 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 M057-2224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M057-2224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M057-2224
  • 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 M057-2224 available by request