J004-1091 Screening compound: 5-{1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl}-3-methyl-1,2-oxazole

J004-1091 Screening compound: 5-{1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl}-3-methyl-1,2-oxazole
J004-1091 Screening compound: 5-{1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl}-3-methyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J004-1091
5-{1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl}-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

J004-1091

Molecular Formula

C19H17N3O5 (C19 H17 N3 O5)

Compound Name

5-{1-[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl}-3-methyl-1,2-oxazole

IUPAC name

5-{1-[5-(2H-13-benzodioxol-5-yl)-12-oxazole-3-carbonyl]pyrrolidin-2-yl}-3-methyl-12-oxazole

SMILES

Cc1noc(C(CCC2)N2C(c2noc(-c(cc3)cc4c3OCO4)c2)=O)c1

InChI

InChI=1S/C19H17N3O5/c1-11-7-17(27-20-11)14-3-2-6-22(14)19(23)13-9-16(26-21-13)12-4-5-15-18(8-12)25-10-24-15/h4-5,7-9,14H,2-3,6,10H2,1H3/t14-/m0/s1

InChI Key

BWONOMMJJDDTME-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD18486744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.901

Distribution Coefficient, logD

2.901

Water Solubility, LogSw

-2.99

Polar Surface Area

76.939

Acid Dissociation Constant (pKa)

24.25

Base Dissociation Constant (pKb)

-4.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

J004-1091 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with J004-1091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J004-1091?
Check Price and Availability of J004-1091, 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 J004-1091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J004-1091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J004-1091
  • 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 J004-1091 available by request