J006-2907 Screening compound: 4-{1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl}-5-ethyl-3-methyl-1,2-oxazole

J006-2907 Screening compound: 4-{1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl}-5-ethyl-3-methyl-1,2-oxazole
J006-2907 Screening compound: 4-{1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl}-5-ethyl-3-methyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-2907
4-{1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl}-5-ethyl-3-methyl-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

J006-2907

Molecular Formula

C17H21ClN2O (C17 H21 ClN2 O)

Compound Name

4-{1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl}-5-ethyl-3-methyl-1,2-oxazole

IUPAC name

4-{1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl}-5-ethyl-3-methyl-12-oxazole

SMILES

CCc1c(C2N(Cc3cccc(Cl)c3)CCC2)c(C)no1

InChI

InChI=1S/C17H21ClN2O/c1-3-16-17(12(2)19-21-16)15-8-5-9-20(15)11-13-6-4-7-14(18)10-13/h4,6-7,10,15H,3,5,8-9,11H2,1-2H3/t15-/m0/s1

InChI Key

PPSNLYNYILPVQL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27215957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.82

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

3.926

Distribution Coefficient, logD

2.582

Water Solubility, LogSw

-4.12

Polar Surface Area

25.712

Acid Dissociation Constant (pKa)

21.33

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

J006-2907 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J006-2907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-2907?
Check Price and Availability of J006-2907, 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 J006-2907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-2907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-2907
  • 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 J006-2907 available by request