E961-1061 Screening compound: 2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(3-chloro-4-methylphenyl)acetamide

E961-1061 Screening compound: 2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(3-chloro-4-methylphenyl)acetamide
E961-1061 Screening compound: 2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(3-chloro-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-1061
2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(3-chloro-4-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

E961-1061

Molecular Formula

C24H24ClN5O3 (C24 H24 ClN5 O3)

Compound Name

2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(3-chloro-4-methylphenyl)acetamide

IUPAC name

2-{6-benzyl-1-ethyl-3-methyl-57-dioxo-1H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl}-N-(3-chloro-4-methylphenyl)acetamide

SMILES

CCn1nc(C)c(N(CC(Nc2cc(Cl)c(C)cc2)=O)C(N2Cc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C24H24ClN5O3/c1-4-30-22-21(16(3)27-30)28(14-20(31)26-18-11-10-15(2)19(25)12-18)24(33)29(23(22)32)13-17-8-6-5-7-9-17/h5-12H,4,13-14H2,1-3H3,(H,26,31)

InChI Key

ZUSRYNIVCIYUCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

4.311

Water Solubility, LogSw

-4.47

Polar Surface Area

69.492

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E961-1061 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E961-1061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-1061?
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What is the minimum amount of E961-1061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-1061
  • 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 E961-1061 available by request