E961-0932 Screening compound: 2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide

E961-0932 Screening compound: 2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide
E961-0932 Screening compound: 2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-0932
2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide

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

E961-0932

Molecular Formula

C25H27N5O3 (C25 H27 N5 O3)

Compound Name

2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide

IUPAC name

2-[1-ethyl-3-methyl-57-dioxo-6-(2-phenylethyl)-1H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl]-N-(3-methylphenyl)acetamide

SMILES

CCn1nc(C)c(N(CC(Nc2cc(C)ccc2)=O)C(N2CCc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C25H27N5O3/c1-4-30-23-22(18(3)27-30)29(16-21(31)26-20-12-8-9-17(2)15-20)25(33)28(24(23)32)14-13-19-10-6-5-7-11-19/h5-12,15H,4,13-14,16H2,1-3H3,(H,26,31)

InChI Key

ISYQEAYAQQASIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.65

Polar Surface Area

69.471

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with E961-0932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-0932?
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What is the minimum amount of E961-0932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-0932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-0932
  • 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 E961-0932 available by request