J006-2957 Screening compound: 2-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}phenol

J006-2957 Screening compound: 2-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}phenol
J006-2957 Screening compound: 2-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-2957
2-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-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

J006-2957

Molecular Formula

C17H22N2O2 (C17 H22 N2 O2)

Compound Name

2-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}phenol

IUPAC name

2-{[2-(5-ethyl-3-methyl-12-oxazol-4-yl)pyrrolidin-1-yl]methyl}phenol

SMILES

CCc1c(C2N(Cc(cccc3)c3O)CCC2)c(C)no1

InChI

InChI=1S/C17H22N2O2/c1-3-16-17(12(2)18-21-16)14-8-6-10-19(14)11-13-7-4-5-9-15(13)20/h4-5,7,9,14,20H,3,6,8,10-11H2,1-2H3/t14-/m0/s1

InChI Key

WTFLUHNTCCWXLI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27215988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.963

Distribution Coefficient, logD

1.540

Water Solubility, LogSw

-2.79

Polar Surface Area

42.260

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

8.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

J006-2957 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Hsp90-Targeted Library (11355 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J006-2957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-2957?
Check Price and Availability of J006-2957, 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 J006-2957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-2957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-2957
  • 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 J006-2957 available by request