E961-1090 Screening compound: 4-[(2,5-dimethylphenyl)methyl]-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione

E961-1090 Screening compound: 4-[(2,5-dimethylphenyl)methyl]-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione
E961-1090 Screening compound: 4-[(2,5-dimethylphenyl)methyl]-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-1090
4-[(2,5-dimethylphenyl)methyl]-1-ethyl-6-[(4-fluorophenyl)methyl]-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

E961-1090

Molecular Formula

C24H25FN4O2 (C24 H25 FN4 O2)

Compound Name

4-[(2,5-dimethylphenyl)methyl]-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione

IUPAC name

4-[(25-dimethylphenyl)methyl]-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H4H5H6H7H-pyrazolo[43-d]pyrimidine-57-dione

SMILES

CCn1nc(C)c(N(Cc2c(C)ccc(C)c2)C(N2Cc(cc3)ccc3F)=O)c1C2=O

InChI

InChI=1S/C24H25FN4O2/c1-5-29-22-21(17(4)26-29)27(14-19-12-15(2)6-7-16(19)3)24(31)28(23(22)30)13-18-8-10-20(25)11-9-18/h6-12H,5,13-14H2,1-4H3

InChI Key

CSDGDEPBBMQPGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

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

4.590

Distribution Coefficient, logD

4.590

Water Solubility, LogSw

-4.26

Polar Surface Area

46.343

Acid Dissociation Constant (pKa)

27.76

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E961-1090 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E961-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-1090?
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What is the minimum amount of E961-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-1090
  • 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 E961-1090 available by request