E961-1063 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-(5-chloro-2-methoxyphenyl)acetamide

E961-1063 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-(5-chloro-2-methoxyphenyl)acetamide
E961-1063 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-(5-chloro-2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-1063
2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(5-chloro-2-methoxyphenyl)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

E961-1063

Molecular Formula

C24H24ClN5O4 (C24 H24 ClN5 O4)

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-(5-chloro-2-methoxyphenyl)acetamide

IUPAC name

2-{6-benzyl-1-ethyl-3-methyl-57-dioxo-1H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl}-N-(5-chloro-2-methoxyphenyl)acetamide

SMILES

CCn1nc(C)c(N(CC(Nc(cc(cc2)Cl)c2OC)=O)C(N2Cc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C24H24ClN5O4/c1-4-30-22-21(15(2)27-30)28(14-20(31)26-18-12-17(25)10-11-19(18)34-3)24(33)29(23(22)32)13-16-8-6-5-7-9-16/h5-12H,4,13-14H2,1-3H3,(H,26,31)

InChI Key

SFPYTNUSASYGNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.44

Polar Surface Area

76.425

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E961-1063 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 E961-1063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-1063?
Check Price and Availability of E961-1063, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E961-1063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-1063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-1063
  • 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 E961-1063 available by request