J006-2859 Screening compound: 4-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}-N,N-dimethylaniline

J006-2859 Screening compound: 4-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}-N,N-dimethylaniline
J006-2859 Screening compound: 4-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-2859
4-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}-N,N-dimethylaniline

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

J006-2859

Molecular Formula

C19H27N3O (C19 H27 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCc1c(C2N(Cc(cc3)ccc3N(C)C)CCC2)c(C)no1

InChI

InChI=1S/C19H27N3O/c1-5-18-19(14(2)20-23-18)17-7-6-12-22(17)13-15-8-10-16(11-9-15)21(3)4/h8-11,17H,5-7,12-13H2,1-4H3/t17-/m0/s1

InChI Key

XXZNZVIMIKCQSY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27215936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.361

Distribution Coefficient, logD

1.728

Water Solubility, LogSw

-3.29

Polar Surface Area

28.517

Acid Dissociation Constant (pKa)

21.33

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

J006-2859 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J006-2859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-2859?
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What is the minimum amount of J006-2859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-2859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-2859
  • 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 J006-2859 available by request