J006-2847 Screening compound: ethyl 2-(3-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}-1H-indol-1-yl)acetate

J006-2847 Screening compound: ethyl 2-(3-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}-1H-indol-1-yl)acetate
J006-2847 Screening compound: ethyl 2-(3-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}-1H-indol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-2847
ethyl 2-(3-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}-1H-indol-1-yl)acetate

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

J006-2847

Molecular Formula

C23H29N3O3 (C23 H29 N3 O3)

Compound Name

ethyl 2-(3-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl}-1H-indol-1-yl)acetate

IUPAC name

ethyl 2-(3-{[2-(5-ethyl-3-methyl-12-oxazol-4-yl)pyrrolidin-1-yl]methyl}-1H-indol-1-yl)acetate

SMILES

CCc1c(C2N(Cc3cn(CC(OCC)=O)c4c3cccc4)CCC2)c(C)no1

InChI

InChI=1S/C23H29N3O3/c1-4-21-23(16(3)24-29-21)20-11-8-12-25(20)13-17-14-26(15-22(27)28-5-2)19-10-7-6-9-18(17)19/h6-7,9-10,14,20H,4-5,8,11-13,15H2,1-3H3/t20-/m0/s1

InChI Key

AGNKBNZUQNVTLC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27644380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.555

Distribution Coefficient, logD

-0.384

Water Solubility, LogSw

-3.37

Polar Surface Area

47.875

Acid Dissociation Constant (pKa)

21.33

Base Dissociation Constant (pKb)

11.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

J006-2847 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 J006-2847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-2847?
Check Price and Availability of J006-2847, 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 J006-2847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-2847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-2847
  • 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 J006-2847 available by request