D041-0059 Screening compound: methyl 3-[4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl]propanoate

D041-0059 Screening compound: methyl 3-[4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl]propanoate
D041-0059 Screening compound: methyl 3-[4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0059
methyl 3-[4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl]propanoate

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

D041-0059

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

methyl 3-[4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl]propanoate

IUPAC name

methyl 3-[4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)amino]-13-thiazol-5-yl]propanoate

SMILES

COC(CCc1c(-c(cc2)ccc2OC)nc(Nc(cc2)ccc2OC)s1)=O

InChI

InChI=1S/C21H22N2O4S/c1-25-16-8-4-14(5-9-16)20-18(12-13-19(24)27-3)28-21(23-20)22-15-6-10-17(26-2)11-7-15/h4-11H,12-13H2,1-3H3,(H,22,23)

InChI Key

WPVPWMAXHTVGMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01832864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.159

Distribution Coefficient, logD

5.159

Water Solubility, LogSw

-4.99

Polar Surface Area

55.363

Acid Dissociation Constant (pKa)

19.02

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D041-0059 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antimitotic Tubulin Library (17355 compounds)

Purinergic Library (3321 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D041-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0059?
Check Price and Availability of D041-0059, 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 D041-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0059
  • 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 D041-0059 available by request