L653-0445 Screening compound: N-(1,3-THIAZOL-4-YLMETHYL)-N-[3-(3,4,5-TRIMETHOXYPHENYL)PROPANOYL]PHENYLALANINAMIDE

L653-0445 Screening compound: N-(1,3-THIAZOL-4-YLMETHYL)-N-[3-(3,4,5-TRIMETHOXYPHENYL)PROPANOYL]PHENYLALANINAMIDE
L653-0445 Screening compound: N-(1,3-THIAZOL-4-YLMETHYL)-N-[3-(3,4,5-TRIMETHOXYPHENYL)PROPANOYL]PHENYLALANINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L653-0445
N-(1,3-THIAZOL-4-YLMETHYL)-N-[3-(3,4,5-TRIMETHOXYPHENYL)PROPANOYL]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

L653-0445

Molecular Formula

C25H29N3O5S (C25 H29 N3 O5 S)

Compound Name

N-(1,3-THIAZOL-4-YLMETHYL)-N-[3-(3,4,5-TRIMETHOXYPHENYL)PROPANOYL]PHENYLALANINAMIDE

IUPAC name

n/a

SMILES

COc1cc(CCC(NC(Cc2ccccc2)C(NCc2cscn2)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C25H29N3O5S/c1-31-21-12-18(13-22(32-2)24(21)33-3)9-10-23(29)28-20(11-17-7-5-4-6-8-17)25(30)26-14-19-15-34-16-27-19/h4-8,12-13,15-16,20H,9-11,14H2,1-3H3,(H,26,30)(H,28,29)/t20-/m0/s1

InChI Key

LKIBEXYEDDWINU-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.678

Distribution Coefficient, logD

2.678

Water Solubility, LogSw

-3.18

Polar Surface Area

81.583

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

L653-0445 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 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)

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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with L653-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L653-0445?
Check Price and Availability of L653-0445, 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 L653-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L653-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L653-0445
  • 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 L653-0445 available by request