L653-0438 Screening compound: N-(2-METHOXYBENZOYL)-N-(1,3-THIAZOL-4-YLMETHYL)PHENYLALANINAMIDE

L653-0438 Screening compound: N-(2-METHOXYBENZOYL)-N-(1,3-THIAZOL-4-YLMETHYL)PHENYLALANINAMIDE
L653-0438 Screening compound: N-(2-METHOXYBENZOYL)-N-(1,3-THIAZOL-4-YLMETHYL)PHENYLALANINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L653-0438
N-(2-METHOXYBENZOYL)-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

L653-0438

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

N-(2-METHOXYBENZOYL)-N-(1,3-THIAZOL-4-YLMETHYL)PHENYLALANINAMIDE

IUPAC name

n/a

SMILES

COc(cccc1)c1C(NC(Cc1ccccc1)C(NCc1cscn1)=O)=O

InChI

InChI=1S/C21H21N3O3S/c1-27-19-10-6-5-9-17(19)20(25)24-18(11-15-7-3-2-4-8-15)21(26)22-12-16-13-28-14-23-16/h2-10,13-14,18H,11-12H2,1H3,(H,22,26)(H,24,25)/t18-/m0/s1

InChI Key

AGQMPMLADHPRPV-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.656

Distribution Coefficient, logD

2.656

Water Solubility, LogSw

-3.37

Polar Surface Area

66.449

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

L653-0438 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

CORONAVIRUS Library (20774 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Epigenetics Focused Set (26518 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L653-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L653-0438?
Check Price and Availability of L653-0438, 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 L653-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L653-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L653-0438
  • 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 L653-0438 available by request