J004-1133 Screening compound: 2,2-dimethyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one

J004-1133 Screening compound: 2,2-dimethyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one
J004-1133 Screening compound: 2,2-dimethyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J004-1133
2,2-dimethyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one

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

J004-1133

Molecular Formula

C13H20N2O2 (C13 H20 N2 O2)

Compound Name

2,2-dimethyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one

IUPAC name

22-dimethyl-1-[2-(3-methyl-12-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one

SMILES

CC(C)(C)C(N(CCC1)C1c1cc(C)no1)=O

InChI

InChI=1S/C13H20N2O2/c1-9-8-11(17-14-9)10-6-5-7-15(10)12(16)13(2,3)4/h8,10H,5-7H2,1-4H3/t10-/m0/s1

InChI Key

QEQUUYYQXCPDQK-JTQLQIEISA-N

MDL Number (MFCD)

MFCD20189106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.096

Distribution Coefficient, logD

2.096

Water Solubility, LogSw

-2.07

Polar Surface Area

38.560

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.20

J004-1133 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J004-1133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J004-1133?
Check Price and Availability of J004-1133, 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 J004-1133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J004-1133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J004-1133
  • 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 J004-1133 available by request