Y041-8225 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-3-phenylpropanamide

Y041-8225 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-3-phenylpropanamide
Y041-8225 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8225
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-3-phenylpropanamide

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

Y041-8225

Molecular Formula

C25H28N6O (C25 H28 N6 O)

Compound Name

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-3-phenylpropanamide

IUPAC name

2-[(46-dimethylpyrimidin-2-yl)amino]-N-[2-(1-methyl-1H-13-benzodiazol-2-yl)ethyl]-3-phenylpropanamide

SMILES

Cc1nc(NC(Cc2ccccc2)C(NCCc2nc(cccc3)c3n2C)=O)nc(C)c1

InChI

InChI=1S/C25H28N6O/c1-17-15-18(2)28-25(27-17)30-21(16-19-9-5-4-6-10-19)24(32)26-14-13-23-29-20-11-7-8-12-22(20)31(23)3/h4-12,15,21H,13-14,16H2,1-3H3,(H,26,32)(H,27,28,30)/t21-/m0/s1

InChI Key

UZKOTMGJLPLWMX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD28367969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.910

Distribution Coefficient, logD

2.840

Water Solubility, LogSw

-3.32

Polar Surface Area

65.663

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

Y041-8225 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-8225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8225?
Check Price and Availability of Y041-8225, 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 Y041-8225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8225
  • 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 Y041-8225 available by request