M050-0789 Screening compound: 4-amino-N5-(2-methylcyclohexyl)-N3-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

M050-0789 Screening compound: 4-amino-N5-(2-methylcyclohexyl)-N3-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
M050-0789 Screening compound: 4-amino-N5-(2-methylcyclohexyl)-N3-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M050-0789
4-amino-N5-(2-methylcyclohexyl)-N3-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

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

M050-0789

Molecular Formula

C20H26N4O2S (C20 H26 N4 O2 S)

Compound Name

4-amino-N5-(2-methylcyclohexyl)-N3-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

IUPAC name

4-amino-N5-(2-methylcyclohexyl)-N3-[(4-methylphenyl)methyl]-12-thiazole-35-dicarboxamide

SMILES

CC(CCCC1)C1NC(c(snc1C(NCc2ccc(C)cc2)=O)c1N)=O

InChI

InChI=1S/C20H26N4O2S/c1-12-7-9-14(10-8-12)11-22-19(25)17-16(21)18(27-24-17)20(26)23-15-6-4-3-5-13(15)2/h7-10,13,15H,3-6,11,21H2,1-2H3,(H,22,25)(H,23,26)

InChI Key

TVYKABOZJUGVMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.548

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-3.82

Polar Surface Area

79.829

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.00

M050-0789 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with M050-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M050-0789?
Check Price and Availability of M050-0789, 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 M050-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M050-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M050-0789
  • 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 M050-0789 available by request