J006-0224 Screening compound: 3-[1-(3,4-difluorobenzyl)-2-pyrrolidinyl]-5-isopropylisoxazole

J006-0224 Screening compound: 3-[1-(3,4-difluorobenzyl)-2-pyrrolidinyl]-5-isopropylisoxazole
J006-0224 Screening compound: 3-[1-(3,4-difluorobenzyl)-2-pyrrolidinyl]-5-isopropylisoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-0224
3-[1-(3,4-difluorobenzyl)-2-pyrrolidinyl]-5-isopropylisoxazole

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

J006-0224

Molecular Formula

C17H20F2N2O (C17 H20 F2 N2 O)

Compound Name

3-[1-(3,4-difluorobenzyl)-2-pyrrolidinyl]-5-isopropylisoxazole

IUPAC name

3-{1-[(34-difluorophenyl)methyl]pyrrolidin-2-yl}-5-(propan-2-yl)-12-oxazole

SMILES

CC(C)c1cc(C2N(Cc(cc3)cc(F)c3F)CCC2)no1

InChI

InChI=1S/C17H20F2N2O/c1-11(2)17-9-15(20-22-17)16-4-3-7-21(16)10-12-5-6-13(18)14(19)8-12/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3/t16-/m0/s1

InChI Key

RWNMNVNBCWJOGS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27215496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.36

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

4.008

Distribution Coefficient, logD

2.525

Water Solubility, LogSw

-4.05

Polar Surface Area

25.732

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

J006-0224 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J006-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-0224?
Check Price and Availability of J006-0224, 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 J006-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-0224
  • 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 J006-0224 available by request