L826-1778 Screening compound: 3-{3-[4-(azepan-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}-N-methyl-N-propylpropanamide

L826-1778 Screening compound: 3-{3-[4-(azepan-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}-N-methyl-N-propylpropanamide
L826-1778 Screening compound: 3-{3-[4-(azepan-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}-N-methyl-N-propylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L826-1778
3-{3-[4-(azepan-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}-N-methyl-N-propylpropanamide

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

L826-1778

Molecular Formula

C21H30N4O2 (C21 H30 N4 O2)

Compound Name

3-{3-[4-(azepan-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}-N-methyl-N-propylpropanamide

IUPAC name

3-{3-[4-(azepan-1-yl)phenyl]-124-oxadiazol-5-yl}-N-methyl-N-propylpropanamide

SMILES

CCCN(C)C(CCc1nc(-c(cc2)ccc2N2CCCCCC2)no1)=O

InChI

InChI=1S/C21H30N4O2/c1-3-14-24(2)20(26)13-12-19-22-21(23-27-19)17-8-10-18(11-9-17)25-15-6-4-5-7-16-25/h8-11H,3-7,12-16H2,1-2H3

InChI Key

IJIAPXWGZZRFEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

4.314

Water Solubility, LogSw

-4.15

Polar Surface Area

51.238

Acid Dissociation Constant (pKa)

23.21

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

L826-1778 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 L826-1778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L826-1778?
Check Price and Availability of L826-1778, 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 L826-1778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L826-1778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L826-1778
  • 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 L826-1778 available by request