E961-0983 Screening compound: 6-benzyl-4-[(3-chlorophenyl)methyl]-1-ethyl-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione

E961-0983 Screening compound: 6-benzyl-4-[(3-chlorophenyl)methyl]-1-ethyl-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione
E961-0983 Screening compound: 6-benzyl-4-[(3-chlorophenyl)methyl]-1-ethyl-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-0983
6-benzyl-4-[(3-chlorophenyl)methyl]-1-ethyl-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione

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

E961-0983

Molecular Formula

C22H21ClN4O2 (C22 H21 ClN4 O2)

Compound Name

6-benzyl-4-[(3-chlorophenyl)methyl]-1-ethyl-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione

IUPAC name

6-benzyl-4-[(3-chlorophenyl)methyl]-1-ethyl-3-methyl-1H4H5H6H7H-pyrazolo[43-d]pyrimidine-57-dione

SMILES

CCn1nc(C)c(N(Cc2cccc(Cl)c2)C(N2Cc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C22H21ClN4O2/c1-3-27-20-19(15(2)24-27)25(14-17-10-7-11-18(23)12-17)22(29)26(21(20)28)13-16-8-5-4-6-9-16/h4-12H,3,13-14H2,1-2H3

InChI Key

ZKAYZNBQPYNJGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.33

Polar Surface Area

46.343

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E961-0983 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E961-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-0983?
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What is the minimum amount of E961-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-0983
  • 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 E961-0983 available by request