M050-0561 Screening compound: 4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-[(3-ethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

M050-0561 Screening compound: 4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-[(3-ethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
M050-0561 Screening compound: 4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-[(3-ethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M050-0561
4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-[(3-ethoxyphenyl)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

M050-0561

Molecular Formula

C22H22N4O5S (C22 H22 N4 O5 S)

Compound Name

4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-[(3-ethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

IUPAC name

4-amino-N3-[(2H-13-benzodioxol-5-yl)methyl]-N5-[(3-ethoxyphenyl)methyl]-12-thiazole-35-dicarboxamide

SMILES

CCOc1cccc(CNC(c(snc2C(NCc(cc3)cc4c3OCO4)=O)c2N)=O)c1

InChI

InChI=1S/C22H22N4O5S/c1-2-29-15-5-3-4-13(8-15)10-25-22(28)20-18(23)19(26-32-20)21(27)24-11-14-6-7-16-17(9-14)31-12-30-16/h3-9H,2,10-12,23H2,1H3,(H,24,27)(H,25,28)

InChI Key

OYYFUVRBMGZTSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.38

Polar Surface Area

103.952

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

M050-0561 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M050-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M050-0561?
Check Price and Availability of M050-0561, 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 M050-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M050-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M050-0561
  • 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 M050-0561 available by request