J006-2794 Screening compound: 5-{1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl}-3-(propan-2-yl)-1,2-oxazole

J006-2794 Screening compound: 5-{1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl}-3-(propan-2-yl)-1,2-oxazole
J006-2794 Screening compound: 5-{1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl}-3-(propan-2-yl)-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-2794
5-{1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl}-3-(propan-2-yl)-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

J006-2794

Molecular Formula

C17H20BrFN2O (C17 H20 BrFN2 O)

Compound Name

5-{1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl}-3-(propan-2-yl)-1,2-oxazole

IUPAC name

5-{1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl}-3-(propan-2-yl)-12-oxazole

SMILES

CC(C)c1noc(C2N(Cc(cc3)cc(Br)c3F)CCC2)c1

InChI

InChI=1S/C17H20BrFN2O/c1-11(2)15-9-17(22-20-15)16-4-3-7-21(16)10-12-5-6-14(19)13(18)8-12/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3/t16-/m0/s1

InChI Key

RITCORVYICNGRC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27215906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.470

Distribution Coefficient, logD

1.979

Water Solubility, LogSw

-4.26

Polar Surface Area

25.732

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

J006-2794 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with J006-2794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-2794?
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What is the minimum amount of J006-2794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-2794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-2794
  • 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 J006-2794 available by request