E960-1223 Screening compound: 2-({1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide

E960-1223 Screening compound: 2-({1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
E960-1223 Screening compound: 2-({1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-1223
2-({1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]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

E960-1223

Molecular Formula

C25H26FN5O3S (C25 H26 FN5 O3 S)

Compound Name

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

IUPAC name

2-({1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-7-oxo-1H6H7H-pyrazolo[43-d]pyrimidin-5-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide

SMILES

CCn1nc(C)c(N=C(N2Cc3cc(OC)ccc3)SCC(NCc(cc3)ccc3F)=O)c1C2=O

InChI

InChI=1S/C25H26FN5O3S/c1-4-31-23-22(16(2)29-31)28-25(30(24(23)33)14-18-6-5-7-20(12-18)34-3)35-15-21(32)27-13-17-8-10-19(26)11-9-17/h5-12H,4,13-15H2,1-3H3,(H,27,32)

InChI Key

YUSPAFUFOKRDOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.019

Distribution Coefficient, logD

3.019

Water Solubility, LogSw

-3.33

Polar Surface Area

69.453

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

E960-1223 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 E960-1223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-1223?
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What is the minimum amount of E960-1223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-1223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-1223
  • 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 E960-1223 available by request