E960-0847 Screening compound: N-(2-ethoxyphenyl)-2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide

E960-0847 Screening compound: N-(2-ethoxyphenyl)-2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
E960-0847 Screening compound: N-(2-ethoxyphenyl)-2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-0847
N-(2-ethoxyphenyl)-2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}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

E960-0847

Molecular Formula

C26H29N5O3S (C26 H29 N5 O3 S)

Compound Name

N-(2-ethoxyphenyl)-2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide

IUPAC name

N-(2-ethoxyphenyl)-2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-1H6H7H-pyrazolo[43-d]pyrimidin-5-yl]sulfanyl}acetamide

SMILES

CCn1nc(C)c(N=C(N2CCc3ccccc3)SCC(Nc(cccc3)c3OCC)=O)c1C2=O

InChI

InChI=1S/C26H29N5O3S/c1-4-31-24-23(18(3)29-31)28-26(30(25(24)33)16-15-19-11-7-6-8-12-19)35-17-22(32)27-20-13-9-10-14-21(20)34-5-2/h6-14H,4-5,15-17H2,1-3H3,(H,27,32)

InChI Key

KHBZZCWFBYNUON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.527

Distribution Coefficient, logD

3.527

Water Solubility, LogSw

-3.72

Polar Surface Area

67.078

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

E960-0847 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 E960-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-0847?
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What is the minimum amount of E960-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-0847
  • 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 E960-0847 available by request