L505-0061 Screening compound: 1-(1-azepanyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-1-ethanone

L505-0061 Screening compound: 1-(1-azepanyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-1-ethanone
L505-0061 Screening compound: 1-(1-azepanyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L505-0061
1-(1-azepanyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-1-ethanone

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

L505-0061

Molecular Formula

C15H20N4O2 (C15 H20 N4 O2)

Compound Name

1-(1-azepanyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-1-ethanone

IUPAC name

1-(azepan-1-yl)-2-[2-(5-methyl-134-oxadiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one

SMILES

Cc1nnc(-c2cccn2CC(N2CCCCCC2)=O)o1

InChI

InChI=1S/C15H20N4O2/c1-12-16-17-15(21-12)13-7-6-10-19(13)11-14(20)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3

InChI Key

TYZOJFHRNITENC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27458986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.591

Distribution Coefficient, logD

1.591

Water Solubility, LogSw

-1.86

Polar Surface Area

48.295

Acid Dissociation Constant (pKa)

22.74

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

L505-0061 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L505-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L505-0061?
Check Price and Availability of L505-0061, 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 L505-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L505-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L505-0061
  • 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 L505-0061 available by request