J006-1083 Screening compound: 5-[1-(2-bromobenzyl)-2-pyrrolidinyl]-3-methylisoxazole

J006-1083 Screening compound: 5-[1-(2-bromobenzyl)-2-pyrrolidinyl]-3-methylisoxazole
J006-1083 Screening compound: 5-[1-(2-bromobenzyl)-2-pyrrolidinyl]-3-methylisoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-1083
5-[1-(2-bromobenzyl)-2-pyrrolidinyl]-3-methylisoxazole

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

J006-1083

Molecular Formula

C15H17BrN2O (C15 H17 BrN2 O)

Compound Name

5-[1-(2-bromobenzyl)-2-pyrrolidinyl]-3-methylisoxazole

IUPAC name

5-{1-[(2-bromophenyl)methyl]pyrrolidin-2-yl}-3-methyl-12-oxazole

SMILES

Cc1noc(C2N(Cc(cccc3)c3Br)CCC2)c1

InChI

InChI=1S/C15H17BrN2O/c1-11-9-15(19-17-11)14-7-4-8-18(14)10-12-5-2-3-6-13(12)16/h2-3,5-6,9,14H,4,7-8,10H2,1H3/t14-/m0/s1

InChI Key

IIVWDCKLKNMERT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27215582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.466

Distribution Coefficient, logD

2.434

Water Solubility, LogSw

-3.39

Polar Surface Area

25.538

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

8.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

J006-1083 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J006-1083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-1083?
Check Price and Availability of J006-1083, 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 J006-1083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-1083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-1083
  • 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 J006-1083 available by request