M050-0388 Screening compound: 4-amino-N3-[(2-chlorophenyl)methyl]-N5-[(3,4-diethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

M050-0388 Screening compound: 4-amino-N3-[(2-chlorophenyl)methyl]-N5-[(3,4-diethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
M050-0388 Screening compound: 4-amino-N3-[(2-chlorophenyl)methyl]-N5-[(3,4-diethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M050-0388
4-amino-N3-[(2-chlorophenyl)methyl]-N5-[(3,4-diethoxyphenyl)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

M050-0388

Molecular Formula

C23H25ClN4O4S (C23 H25 ClN4 O4 S)

Compound Name

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

IUPAC name

4-amino-N3-[(2-chlorophenyl)methyl]-N5-[(34-diethoxyphenyl)methyl]-12-thiazole-35-dicarboxamide

SMILES

CCOc(ccc(CNC(c(snc1C(NCc(cccc2)c2Cl)=O)c1N)=O)c1)c1OCC

InChI

InChI=1S/C23H25ClN4O4S/c1-3-31-17-10-9-14(11-18(17)32-4-2)12-26-23(30)21-19(25)20(28-33-21)22(29)27-13-15-7-5-6-8-16(15)24/h5-11H,3-4,12-13,25H2,1-2H3,(H,26,30)(H,27,29)

InChI Key

ROAKKARPQVLMOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.336

Distribution Coefficient, logD

3.336

Water Solubility, LogSw

-3.56

Polar Surface Area

94.134

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

M050-0388 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with M050-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M050-0388?
Check Price and Availability of M050-0388, 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 M050-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M050-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M050-0388
  • 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 M050-0388 available by request