J006-0440 Screening compound: 1-ethyl-3-({2-[5-(propan-2-yl)-1,2-oxazol-3-yl]pyrrolidin-1-yl}methyl)-1H-indole

J006-0440 Screening compound: 1-ethyl-3-({2-[5-(propan-2-yl)-1,2-oxazol-3-yl]pyrrolidin-1-yl}methyl)-1H-indole
J006-0440 Screening compound: 1-ethyl-3-({2-[5-(propan-2-yl)-1,2-oxazol-3-yl]pyrrolidin-1-yl}methyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-0440
1-ethyl-3-({2-[5-(propan-2-yl)-1,2-oxazol-3-yl]pyrrolidin-1-yl}methyl)-1H-indole

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

J006-0440

Molecular Formula

C21H27N3O (C21 H27 N3 O)

Compound Name

1-ethyl-3-({2-[5-(propan-2-yl)-1,2-oxazol-3-yl]pyrrolidin-1-yl}methyl)-1H-indole

IUPAC name

1-ethyl-3-({2-[5-(propan-2-yl)-12-oxazol-3-yl]pyrrolidin-1-yl}methyl)-1H-indole

SMILES

CCn1c(cccc2)c2c(CN(CCC2)C2c2noc(C(C)C)c2)c1

InChI

InChI=1S/C21H27N3O/c1-4-23-13-16(17-8-5-6-9-19(17)23)14-24-11-7-10-20(24)18-12-21(15(2)3)25-22-18/h5-6,8-9,12-13,15,20H,4,7,10-11,14H2,1-3H3/t20-/m0/s1

InChI Key

VOWMZZACXFUNRW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27215511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.46

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

4.296

Distribution Coefficient, logD

-0.946

Water Solubility, LogSw

-4.09

Polar Surface Area

27.460

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

12.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

J006-0440 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Targets:
  • Others
  • Ion Channels
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J006-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-0440?
Check Price and Availability of J006-0440, 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 J006-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-0440
  • 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 J006-0440 available by request