M050-0553 Screening compound: 4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-{[3-(trifluoromethyl)phenyl]methyl}-1,2-thiazole-3,5-dicarboxamide

M050-0553 Screening compound: 4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-{[3-(trifluoromethyl)phenyl]methyl}-1,2-thiazole-3,5-dicarboxamide
M050-0553 Screening compound: 4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-{[3-(trifluoromethyl)phenyl]methyl}-1,2-thiazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M050-0553
4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-{[3-(trifluoromethyl)phenyl]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

M050-0553

Molecular Formula

C21H17F3N4O4S (C21 H17 F3 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Nc1c(C(NCc2cc(C(F)(F)F)ccc2)=O)snc1C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C21H17F3N4O4S/c22-21(23,24)13-3-1-2-11(6-13)8-27-20(30)18-16(25)17(28-33-18)19(29)26-9-12-4-5-14-15(7-12)32-10-31-14/h1-7H,8-10,25H2,(H,26,29)(H,27,30)

InChI Key

QTUZCPGMRMWWFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.159

Distribution Coefficient, logD

3.159

Water Solubility, LogSw

-3.44

Polar Surface Area

96.829

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M050-0553 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M050-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M050-0553?
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What is the minimum amount of M050-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M050-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M050-0553
  • 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 M050-0553 available by request