E961-0900 Screening compound: 1-ethyl-3-methyl-6-(2-phenylethyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione

E961-0900 Screening compound: 1-ethyl-3-methyl-6-(2-phenylethyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione
E961-0900 Screening compound: 1-ethyl-3-methyl-6-(2-phenylethyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-0900
1-ethyl-3-methyl-6-(2-phenylethyl)-4-{[3-(trifluoromethyl)phenyl]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

E961-0900

Molecular Formula

C24H23F3N4O2 (C24 H23 F3 N4 O2)

Compound Name

1-ethyl-3-methyl-6-(2-phenylethyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione

IUPAC name

1-ethyl-3-methyl-6-(2-phenylethyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-1H4H5H6H7H-pyrazolo[43-d]pyrimidine-57-dione

SMILES

CCn1nc(C)c(N(Cc2cccc(C(F)(F)F)c2)C(N2CCc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C24H23F3N4O2/c1-3-31-21-20(16(2)28-31)30(15-18-10-7-11-19(14-18)24(25,26)27)23(33)29(22(21)32)13-12-17-8-5-4-6-9-17/h4-11,14H,3,12-13,15H2,1-2H3

InChI Key

ZFLXWFJASBQYKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.38

Polar Surface Area

46.321

Acid Dissociation Constant (pKa)

26.36

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E961-0900 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E961-0900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-0900?
Check Price and Availability of E961-0900, 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 E961-0900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-0900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-0900
  • 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 E961-0900 available by request