L080-0295 Screening compound: 3-{2-[(cyclohexylcarbamoyl)(methyl)amino]ethyl}-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

L080-0295 Screening compound: 3-{2-[(cyclohexylcarbamoyl)(methyl)amino]ethyl}-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
L080-0295 Screening compound: 3-{2-[(cyclohexylcarbamoyl)(methyl)amino]ethyl}-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L080-0295
3-{2-[(cyclohexylcarbamoyl)(methyl)amino]ethyl}-N-[(4-methylphenyl)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

L080-0295

Molecular Formula

C21H29N5O3 (C21 H29 N5 O3)

Compound Name

3-{2-[(cyclohexylcarbamoyl)(methyl)amino]ethyl}-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-{2-[(cyclohexylcarbamoyl)(methyl)amino]ethyl}-N-[(4-methylphenyl)methyl]-124-oxadiazole-5-carboxamide

SMILES

Cc1ccc(CNC(c2nc(CCN(C)C(NC3CCCCC3)=O)no2)=O)cc1

InChI

InChI=1S/C21H29N5O3/c1-15-8-10-16(11-9-15)14-22-19(27)20-24-18(25-29-20)12-13-26(2)21(28)23-17-6-4-3-5-7-17/h8-11,17H,3-7,12-14H2,1-2H3,(H,22,27)(H,23,28)

InChI Key

LFDZWYYREBZSFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.41

Polar Surface Area

83.588

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

L080-0295 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L080-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L080-0295?
Check Price and Availability of L080-0295, 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 L080-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L080-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L080-0295
  • 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 L080-0295 available by request