L084-0486 Screening compound: N-(2-{5-[4-(azepane-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)-N,3-dimethylbenzamide

L084-0486 Screening compound: N-(2-{5-[4-(azepane-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)-N,3-dimethylbenzamide
L084-0486 Screening compound: N-(2-{5-[4-(azepane-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)-N,3-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L084-0486
N-(2-{5-[4-(azepane-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)-N,3-dimethylbenzamide

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

L084-0486

Molecular Formula

C26H30N4O3 (C26 H30 N4 O3)

Compound Name

N-(2-{5-[4-(azepane-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)-N,3-dimethylbenzamide

IUPAC name

N-(2-{5-[4-(azepane-1-carbonyl)phenyl]-124-oxadiazol-3-yl}ethyl)-N3-dimethylbenzamide

SMILES

Cc1cccc(C(N(C)CCc2noc(-c(cc3)ccc3C(N3CCCCCC3)=O)n2)=O)c1

InChI

InChI=1S/C26H30N4O3/c1-19-8-7-9-22(18-19)25(31)29(2)17-14-23-27-24(33-28-23)20-10-12-21(13-11-20)26(32)30-15-5-3-4-6-16-30/h7-13,18H,3-6,14-17H2,1-2H3

InChI Key

HXGRLHJTHJEWLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.659

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-3.78

Polar Surface Area

66.014

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

L084-0486 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with L084-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L084-0486?
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What is the minimum amount of L084-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L084-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L084-0486
  • 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 L084-0486 available by request