E961-0971 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-(2-methoxy-5-methylphenyl)acetamide

E961-0971 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-(2-methoxy-5-methylphenyl)acetamide
E961-0971 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-(2-methoxy-5-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-0971
2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-(2-methoxy-5-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

E961-0971

Molecular Formula

C26H29N5O4 (C26 H29 N5 O4)

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-(2-methoxy-5-methylphenyl)acetamide

IUPAC name

2-[1-ethyl-3-methyl-57-dioxo-6-(2-phenylethyl)-1H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl]-N-(2-methoxy-5-methylphenyl)acetamide

SMILES

CCn1nc(C)c(N(CC(Nc(cc(C)cc2)c2OC)=O)C(N2CCc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C26H29N5O4/c1-5-31-24-23(18(3)28-31)30(16-22(32)27-20-15-17(2)11-12-21(20)35-4)26(34)29(25(24)33)14-13-19-9-7-6-8-10-19/h6-12,15H,5,13-14,16H2,1-4H3,(H,27,32)

InChI Key

YKMUPDBUMNQGLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.912

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.27

Polar Surface Area

76.403

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

E961-0971 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E961-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-0971?
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What is the minimum amount of E961-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-0971
  • 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 E961-0971 available by request