L084-0454 Screening compound: 4-{3-[2-(N-methyl-1-phenylformamido)ethyl]-1,2,4-oxadiazol-5-yl}-N-[(2-methylphenyl)methyl]benzamide

L084-0454 Screening compound: 4-{3-[2-(N-methyl-1-phenylformamido)ethyl]-1,2,4-oxadiazol-5-yl}-N-[(2-methylphenyl)methyl]benzamide
L084-0454 Screening compound: 4-{3-[2-(N-methyl-1-phenylformamido)ethyl]-1,2,4-oxadiazol-5-yl}-N-[(2-methylphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L084-0454
4-{3-[2-(N-methyl-1-phenylformamido)ethyl]-1,2,4-oxadiazol-5-yl}-N-[(2-methylphenyl)methyl]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

L084-0454

Molecular Formula

C27H26N4O3 (C27 H26 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNC(c(cc2)ccc2-c2nc(CCN(C)C(c3ccccc3)=O)no2)=O)cccc1

InChI

InChI=1S/C27H26N4O3/c1-19-8-6-7-11-23(19)18-28-25(32)20-12-14-21(15-13-20)26-29-24(30-34-26)16-17-31(2)27(33)22-9-4-3-5-10-22/h3-15H,16-18H2,1-2H3,(H,28,32)

InChI Key

XTADMPDYQDNDPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.244

Distribution Coefficient, logD

4.244

Water Solubility, LogSw

-4.20

Polar Surface Area

73.448

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

L084-0454 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L084-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L084-0454?
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What is the minimum amount of L084-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L084-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L084-0454
  • 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 L084-0454 available by request