L654-0254 Screening compound: N-[(3,5-DIMETHYLPHENYL)SULFONYL]-N-(1,3-THIAZOL-4-YLMETHYL)PHENYLALANINAMIDE

L654-0254 Screening compound: N-[(3,5-DIMETHYLPHENYL)SULFONYL]-N-(1,3-THIAZOL-4-YLMETHYL)PHENYLALANINAMIDE
L654-0254 Screening compound: N-[(3,5-DIMETHYLPHENYL)SULFONYL]-N-(1,3-THIAZOL-4-YLMETHYL)PHENYLALANINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L654-0254
N-[(3,5-DIMETHYLPHENYL)SULFONYL]-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

L654-0254

Molecular Formula

C21H23N3O3S2 (C21 H23 N3 O3 S2)

Compound Name

N-[(3,5-DIMETHYLPHENYL)SULFONYL]-N-(1,3-THIAZOL-4-YLMETHYL)PHENYLALANINAMIDE

IUPAC name

n/a

SMILES

Cc1cc(S(NC(Cc2ccccc2)C(NCc2cscn2)=O)(=O)=O)cc(C)c1

InChI

InChI=1S/C21H23N3O3S2/c1-15-8-16(2)10-19(9-15)29(26,27)24-20(11-17-6-4-3-5-7-17)21(25)22-12-18-13-28-14-23-18/h3-10,13-14,20,24H,11-12H2,1-2H3,(H,22,25)/t20-/m0/s1

InChI Key

XSDLYWWBMPUQPB-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.84

Polar Surface Area

76.377

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

L654-0254 in Drug Discovery

Included in Screening Libraries

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L654-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L654-0254?
Check Price and Availability of L654-0254, 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 L654-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L654-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L654-0254
  • 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 L654-0254 available by request