M050-0244 Screening compound: 4-amino-N3-benzyl-N5-[(3-chloro-4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

M050-0244 Screening compound: 4-amino-N3-benzyl-N5-[(3-chloro-4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
M050-0244 Screening compound: 4-amino-N3-benzyl-N5-[(3-chloro-4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M050-0244
4-amino-N3-benzyl-N5-[(3-chloro-4-fluorophenyl)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

M050-0244

Molecular Formula

C19H16ClFN4O2S (C19 H16 ClFN4 O2 S)

Compound Name

4-amino-N3-benzyl-N5-[(3-chloro-4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

IUPAC name

4-amino-N3-benzyl-N5-[(3-chloro-4-fluorophenyl)methyl]-12-thiazole-35-dicarboxamide

SMILES

Nc1c(C(NCc(cc2)cc(Cl)c2F)=O)snc1C(NCc1ccccc1)=O

InChI

InChI=1S/C19H16ClFN4O2S/c20-13-8-12(6-7-14(13)21)10-24-19(27)17-15(22)16(25-28-17)18(26)23-9-11-4-2-1-3-5-11/h1-8H,9-10,22H2,(H,23,26)(H,24,27)

InChI Key

IDHVNGVSVWQSFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

3.062

Water Solubility, LogSw

-3.43

Polar Surface Area

79.713

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

M050-0244 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 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

References: we are preparing a list of scientific research reports with M050-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M050-0244?
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What is the minimum amount of M050-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M050-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M050-0244
  • 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 M050-0244 available by request