M057-0025 Screening compound: 4-methyl-N-{[4-(propan-2-yl)phenyl]methyl}-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide

M057-0025 Screening compound: 4-methyl-N-{[4-(propan-2-yl)phenyl]methyl}-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
M057-0025 Screening compound: 4-methyl-N-{[4-(propan-2-yl)phenyl]methyl}-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M057-0025
4-methyl-N-{[4-(propan-2-yl)phenyl]methyl}-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

M057-0025

Molecular Formula

C19H21N3OS (C19 H21 N3 OS)

Compound Name

4-methyl-N-{[4-(propan-2-yl)phenyl]methyl}-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide

IUPAC name

4-methyl-N-{[4-(propan-2-yl)phenyl]methyl}-2-(1H-pyrrol-1-yl)-13-thiazole-5-carboxamide

SMILES

CC(C)c1ccc(CNC(c2c(C)nc(-n3cccc3)s2)=O)cc1

InChI

InChI=1S/C19H21N3OS/c1-13(2)16-8-6-15(7-9-16)12-20-18(23)17-14(3)21-19(24-17)22-10-4-5-11-22/h4-11,13H,12H2,1-3H3,(H,20,23)

InChI Key

PRFDJAQPWPBVAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.851

Distribution Coefficient, logD

4.846

Water Solubility, LogSw

-4.52

Polar Surface Area

39.035

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

M057-0025 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M057-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M057-0025?
Check Price and Availability of M057-0025, 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 M057-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M057-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M057-0025
  • 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 M057-0025 available by request