E960-1078 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-cyclohexylacetamide

E960-1078 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-cyclohexylacetamide
E960-1078 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-1078
2-({6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-cyclohexylacetamide

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

E960-1078

Molecular Formula

C23H28ClN5O2S (C23 H28 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1nc(C)c(N=C(N2Cc(cccc3)c3Cl)SCC(NC3CCCCC3)=O)c1C2=O

InChI

InChI=1S/C23H28ClN5O2S/c1-3-29-21-20(15(2)27-29)26-23(32-14-19(30)25-17-10-5-4-6-11-17)28(22(21)31)13-16-9-7-8-12-18(16)24/h7-9,12,17H,3-6,10-11,13-14H2,1-2H3,(H,25,30)

InChI Key

NSAJKRVKNYLOJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

3.634

Water Solubility, LogSw

-3.80

Polar Surface Area

61.635

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

E960-1078 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 E960-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-1078?
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What is the minimum amount of E960-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-1078
  • 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 E960-1078 available by request