J006-2499 Screening compound: 2-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl}phenol

J006-2499 Screening compound: 2-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl}phenol
J006-2499 Screening compound: 2-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-2499
2-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl}phenol

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

J006-2499

Molecular Formula

C15H18N2O2 (C15 H18 N2 O2)

Compound Name

2-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl}phenol

IUPAC name

2-{[2-(5-methyl-12-oxazol-3-yl)pyrrolidin-1-yl]methyl}phenol

SMILES

Cc1cc(C2N(Cc(cccc3)c3O)CCC2)no1

InChI

InChI=1S/C15H18N2O2/c1-11-9-13(16-19-11)14-6-4-8-17(14)10-12-5-2-3-7-15(12)18/h2-3,5,7,9,14,18H,4,6,8,10H2,1H3/t14-/m0/s1

InChI Key

OGENIJKMAYPJBK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27215782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.637

Distribution Coefficient, logD

2.087

Water Solubility, LogSw

-2.38

Polar Surface Area

41.701

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

J006-2499 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J006-2499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-2499?
Check Price and Availability of J006-2499, 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 J006-2499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-2499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-2499
  • 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 J006-2499 available by request