M050-0483 Screening compound: 4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide

M050-0483 Screening compound: 4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide
M050-0483 Screening compound: 4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M050-0483
4-amino-N3-[(2H-1,3-benzodioxol-5-yl)methyl]-N5-[2-(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

M050-0483

Molecular Formula

C23H24N4O6S (C23 H24 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNC(c(snc1C(NCc(cc2)cc3c2OCO3)=O)c1N)=O)c1)c1OC

InChI

InChI=1S/C23H24N4O6S/c1-30-15-5-3-13(9-17(15)31-2)7-8-25-23(29)21-19(24)20(27-34-21)22(28)26-11-14-4-6-16-18(10-14)33-12-32-16/h3-6,9-10H,7-8,11-12,24H2,1-2H3,(H,25,29)(H,26,28)

InChI Key

KNOCWLJXUDTQPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494414

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

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.811

Distribution Coefficient, logD

1.811

Water Solubility, LogSw

-2.55

Polar Surface Area

111.931

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

M050-0483 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M050-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M050-0483?
Check Price and Availability of M050-0483, 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 M050-0483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M050-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M050-0483
  • 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 M050-0483 available by request