E961-0920 Screening compound: N-(2,5-dimethoxyphenyl)-2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamide

E961-0920 Screening compound: N-(2,5-dimethoxyphenyl)-2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamide
E961-0920 Screening compound: N-(2,5-dimethoxyphenyl)-2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-0920
N-(2,5-dimethoxyphenyl)-2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]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

E961-0920

Molecular Formula

C26H29N5O5 (C26 H29 N5 O5)

Compound Name

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

IUPAC name

N-(25-dimethoxyphenyl)-2-[1-ethyl-3-methyl-57-dioxo-6-(2-phenylethyl)-1H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl]acetamide

SMILES

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

InChI

InChI=1S/C26H29N5O5/c1-5-31-24-23(17(2)28-31)30(16-22(32)27-20-15-19(35-3)11-12-21(20)36-4)26(34)29(25(24)33)14-13-18-9-7-6-8-10-18/h6-12,15H,5,13-14,16H2,1-4H3,(H,27,32)

InChI Key

YFSPZIXYHPIPQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.758

Distribution Coefficient, logD

2.758

Water Solubility, LogSw

-3.22

Polar Surface Area

83.947

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

E961-0920 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 E961-0920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-0920?
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What is the minimum amount of E961-0920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-0920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-0920
  • 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 E961-0920 available by request