L471-1856 Screening compound: 3-[4-(azepan-1-yl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

L471-1856 Screening compound: 3-[4-(azepan-1-yl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
L471-1856 Screening compound: 3-[4-(azepan-1-yl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L471-1856
3-[4-(azepan-1-yl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

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

L471-1856

Molecular Formula

C24H28N4O4 (C24 H28 N4 O4)

Compound Name

3-[4-(azepan-1-yl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[4-(azepan-1-yl)phenyl]-N-[(25-dimethoxyphenyl)methyl]-124-oxadiazole-5-carboxamide

SMILES

COc(cc1)cc(CNC(c2nc(-c(cc3)ccc3N3CCCCCC3)no2)=O)c1OC

InChI

InChI=1S/C24H28N4O4/c1-30-20-11-12-21(31-2)18(15-20)16-25-23(29)24-26-22(27-32-24)17-7-9-19(10-8-17)28-13-5-3-4-6-14-28/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,25,29)

InChI Key

JWOCBBWKQKDXKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27454807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.832

Distribution Coefficient, logD

4.831

Water Solubility, LogSw

-4.65

Polar Surface Area

75.287

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L471-1856 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L471-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L471-1856?
Check Price and Availability of L471-1856, 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 L471-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L471-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L471-1856
  • 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 L471-1856 available by request