E960-0353 Screening compound: ethyl 4-[2-({6-benzyl-1-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate

E960-0353 Screening compound: ethyl 4-[2-({6-benzyl-1-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
E960-0353 Screening compound: ethyl 4-[2-({6-benzyl-1-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-0353
ethyl 4-[2-({6-benzyl-1-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate

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

E960-0353

Molecular Formula

C24H23N5O4S (C24 H23 N5 O4 S)

Compound Name

ethyl 4-[2-({6-benzyl-1-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate

IUPAC name

ethyl 4-[2-({6-benzyl-1-methyl-7-oxo-1H6H7H-pyrazolo[43-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSC(N(Cc1ccccc1)C1=O)=Nc2c1n(C)nc2)=O)=O

InChI

InChI=1S/C24H23N5O4S/c1-3-33-23(32)17-9-11-18(12-10-17)26-20(30)15-34-24-27-19-13-25-28(2)21(19)22(31)29(24)14-16-7-5-4-6-8-16/h4-13H,3,14-15H2,1-2H3,(H,26,30)

InChI Key

UEOYSHMSFGFSAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.430

Distribution Coefficient, logD

3.430

Water Solubility, LogSw

-3.56

Polar Surface Area

83.801

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

E960-0353 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 E960-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-0353?
Check Price and Availability of E960-0353, 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 E960-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-0353
  • 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 E960-0353 available by request