J004-1245 Screening compound: [2-(5-methyl-3-isoxazolyl)-1-pyrrolidinyl][1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

J004-1245 Screening compound: [2-(5-methyl-3-isoxazolyl)-1-pyrrolidinyl][1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
J004-1245 Screening compound: [2-(5-methyl-3-isoxazolyl)-1-pyrrolidinyl][1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound J004-1245
[2-(5-methyl-3-isoxazolyl)-1-pyrrolidinyl][1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

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

J004-1245

Molecular Formula

C14H15F3N4O2 (C14 H15 F3 N4 O2)

Compound Name

[2-(5-methyl-3-isoxazolyl)-1-pyrrolidinyl][1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

IUPAC name

n/a

SMILES

Cc1cc(C(CCC2)N2C(c2nn(C)c(C(F)(F)F)c2)=O)no1

InChI

InChI=1S/C14H15F3N4O2/c1-8-6-9(19-23-8)11-4-3-5-21(11)13(22)10-7-12(14(15,16)17)20(2)18-10/h6-7,11H,3-5H2,1-2H3/t11-/m0/s1

InChI Key

ZPUDBXGHLHSIFO-NSHDSACASA-N

MDL Number (MFCD)

MFCD27214923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.890

Distribution Coefficient, logD

1.890

Water Solubility, LogSw

-2.02

Polar Surface Area

51.419

Acid Dissociation Constant (pKa)

27.05

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

J004-1245 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J004-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J004-1245?
Check Price and Availability of J004-1245, 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 J004-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J004-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J004-1245
  • 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 J004-1245 available by request