L653-0413 Screening compound: N-[3-(4-METHOXYPHENYL)PROPANOYL]-N-(1,3-THIAZOL-4-YLMETHYL)PHENYLALANINAMIDE

L653-0413 Screening compound: N-[3-(4-METHOXYPHENYL)PROPANOYL]-N-(1,3-THIAZOL-4-YLMETHYL)PHENYLALANINAMIDE
L653-0413 Screening compound: N-[3-(4-METHOXYPHENYL)PROPANOYL]-N-(1,3-THIAZOL-4-YLMETHYL)PHENYLALANINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L653-0413
N-[3-(4-METHOXYPHENYL)PROPANOYL]-N-(1,3-THIAZOL-4-YLMETHYL)PHENYLALANINAMIDE

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

L653-0413

Molecular Formula

C23H25N3O3S (C23 H25 N3 O3 S)

Compound Name

N-[3-(4-METHOXYPHENYL)PROPANOYL]-N-(1,3-THIAZOL-4-YLMETHYL)PHENYLALANINAMIDE

IUPAC name

n/a

SMILES

COc1ccc(CCC(NC(Cc2ccccc2)C(NCc2cscn2)=O)=O)cc1

InChI

InChI=1S/C23H25N3O3S/c1-29-20-10-7-17(8-11-20)9-12-22(27)26-21(13-18-5-3-2-4-6-18)23(28)24-14-19-15-30-16-25-19/h2-8,10-11,15-16,21H,9,12-14H2,1H3,(H,24,28)(H,26,27)/t21-/m0/s1

InChI Key

PNKJWYUDPRBHLV-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.000

Distribution Coefficient, logD

3.000

Water Solubility, LogSw

-3.47

Polar Surface Area

66.149

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

L653-0413 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

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

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Targets:
  • Phosphatases
  • Phosphatases

References: we are preparing a list of scientific research reports with L653-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L653-0413?
Check Price and Availability of L653-0413, 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 L653-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L653-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L653-0413
  • 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 L653-0413 available by request