L084-0557 Screening compound: 4-(3-{2-[N-methyl-1-(3-methylphenyl)formamido]ethyl}-1,2,4-oxadiazol-5-yl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide

L084-0557 Screening compound: 4-(3-{2-[N-methyl-1-(3-methylphenyl)formamido]ethyl}-1,2,4-oxadiazol-5-yl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide
L084-0557 Screening compound: 4-(3-{2-[N-methyl-1-(3-methylphenyl)formamido]ethyl}-1,2,4-oxadiazol-5-yl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L084-0557
4-(3-{2-[N-methyl-1-(3-methylphenyl)formamido]ethyl}-1,2,4-oxadiazol-5-yl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide

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

L084-0557

Molecular Formula

C27H33N5O3 (C27 H33 N5 O3)

Compound Name

4-(3-{2-[N-methyl-1-(3-methylphenyl)formamido]ethyl}-1,2,4-oxadiazol-5-yl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide

IUPAC name

4-(3-{2-[N-methyl-1-(3-methylphenyl)formamido]ethyl}-124-oxadiazol-5-yl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide

SMILES

Cc1cccc(C(N(C)CCc2noc(-c(cc3)ccc3C(NCCCN3CCCC3)=O)n2)=O)c1

InChI

InChI=1S/C27H33N5O3/c1-20-7-5-8-23(19-20)27(34)31(2)18-13-24-29-26(35-30-24)22-11-9-21(10-12-22)25(33)28-14-6-17-32-15-3-4-16-32/h5,7-12,19H,3-4,6,13-18H2,1-2H3,(H,28,33)

InChI Key

PIUQLEKDMMTFCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.686

Distribution Coefficient, logD

-0.346

Water Solubility, LogSw

-3.01

Polar Surface Area

77.639

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

L084-0557 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L084-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L084-0557?
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What is the minimum amount of L084-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L084-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L084-0557
  • 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 L084-0557 available by request