J006-2868 Screening compound: 4-(1-{[3-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-5-ethyl-3-methyl-1,2-oxazole

J006-2868 Screening compound: 4-(1-{[3-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-5-ethyl-3-methyl-1,2-oxazole
J006-2868 Screening compound: 4-(1-{[3-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-5-ethyl-3-methyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-2868
4-(1-{[3-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-5-ethyl-3-methyl-1,2-oxazole

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

J006-2868

Molecular Formula

C22H28N4O2 (C22 H28 N4 O2)

Compound Name

4-(1-{[3-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-5-ethyl-3-methyl-1,2-oxazole

IUPAC name

4-(1-{[3-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl)-5-ethyl-3-methyl-12-oxazole

SMILES

CCc1c(C2N(Cc3c[nH]nc3-c(cc3)ccc3OCC)CCC2)c(C)no1

InChI

InChI=1S/C22H28N4O2/c1-4-20-21(15(3)25-28-20)19-7-6-12-26(19)14-17-13-23-24-22(17)16-8-10-18(11-9-16)27-5-2/h8-11,13,19H,4-7,12,14H2,1-3H3,(H,23,24)/t19-/m0/s1

InChI Key

JYVZZOLAKSHSHW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27215942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.750

Distribution Coefficient, logD

0.549

Water Solubility, LogSw

-3.87

Polar Surface Area

57.026

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

10.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

J006-2868 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with J006-2868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-2868?
Check Price and Availability of J006-2868, 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 J006-2868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-2868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-2868
  • 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 J006-2868 available by request