M050-0545 Screening compound: 4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-[1-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide

M050-0545 Screening compound: 4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-[1-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide
M050-0545 Screening compound: 4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-[1-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M050-0545
4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-[1-(3,4-dimethoxyphenyl)ethyl]-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

M050-0545

Molecular Formula

C23H24N4O6S (C23 H24 N4 O6 S)

Compound Name

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

IUPAC name

4-amino-N3-[(2H-13-benzodioxol-5-yl)methyl]-N5-[1-(34-dimethoxyphenyl)ethyl]-12-thiazole-35-dicarboxamide

SMILES

CC(c(cc1)cc(OC)c1OC)NC(c(snc1C(NCc(cc2)cc3c2OCO3)=O)c1N)=O

InChI

InChI=1S/C23H24N4O6S/c1-12(14-5-7-15(30-2)17(9-14)31-3)26-23(29)21-19(24)20(27-34-21)22(28)25-10-13-4-6-16-18(8-13)33-11-32-16/h4-9,12H,10-11,24H2,1-3H3,(H,25,28)(H,26,29)/t12-/m0/s1

InChI Key

JIFCPPFXYGBVLG-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27494416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.476

Distribution Coefficient, logD

2.476

Water Solubility, LogSw

-3.00

Polar Surface Area

111.253

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

M050-0545 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M050-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M050-0545?
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What is the minimum amount of M050-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M050-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M050-0545
  • 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 M050-0545 available by request