M050-0326 Screening compound: 4-amino-N5-[(2H-1,3-benzodioxol-5-yl)methyl]-N3-[(2-chlorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

M050-0326 Screening compound: 4-amino-N5-[(2H-1,3-benzodioxol-5-yl)methyl]-N3-[(2-chlorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
M050-0326 Screening compound: 4-amino-N5-[(2H-1,3-benzodioxol-5-yl)methyl]-N3-[(2-chlorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M050-0326
4-amino-N5-[(2H-1,3-benzodioxol-5-yl)methyl]-N3-[(2-chlorophenyl)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

M050-0326

Molecular Formula

C20H17ClN4O4S (C20 H17 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Nc1c(C(NCc(cc2)cc3c2OCO3)=O)snc1C(NCc(cccc1)c1Cl)=O

InChI

InChI=1S/C20H17ClN4O4S/c21-13-4-2-1-3-12(13)9-24-19(26)17-16(22)18(30-25-17)20(27)23-8-11-5-6-14-15(7-11)29-10-28-14/h1-7H,8-10,22H2,(H,23,27)(H,24,26)

InChI Key

BARMHWREWIXNFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.143

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-3.41

Polar Surface Area

96.829

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M050-0326 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M050-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M050-0326?
Check Price and Availability of M050-0326, 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 M050-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M050-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M050-0326
  • 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 M050-0326 available by request