L084-0654 Screening compound: 4-(3-{2-[1-(4-fluorophenyl)-N-methylformamido]ethyl}-1,2,4-oxadiazol-5-yl)-N-[3-(propan-2-yloxy)propyl]benzamide

L084-0654 Screening compound: 4-(3-{2-[1-(4-fluorophenyl)-N-methylformamido]ethyl}-1,2,4-oxadiazol-5-yl)-N-[3-(propan-2-yloxy)propyl]benzamide
L084-0654 Screening compound: 4-(3-{2-[1-(4-fluorophenyl)-N-methylformamido]ethyl}-1,2,4-oxadiazol-5-yl)-N-[3-(propan-2-yloxy)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L084-0654
4-(3-{2-[1-(4-fluorophenyl)-N-methylformamido]ethyl}-1,2,4-oxadiazol-5-yl)-N-[3-(propan-2-yloxy)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

L084-0654

Molecular Formula

C25H29FN4O4 (C25 H29 FN4 O4)

Compound Name

4-(3-{2-[1-(4-fluorophenyl)-N-methylformamido]ethyl}-1,2,4-oxadiazol-5-yl)-N-[3-(propan-2-yloxy)propyl]benzamide

IUPAC name

4-(3-{2-[1-(4-fluorophenyl)-N-methylformamido]ethyl}-124-oxadiazol-5-yl)-N-[3-(propan-2-yloxy)propyl]benzamide

SMILES

CC(C)OCCCNC(c(cc1)ccc1-c1nc(CCN(C)C(c(cc2)ccc2F)=O)no1)=O

InChI

InChI=1S/C25H29FN4O4/c1-17(2)33-16-4-14-27-23(31)18-5-7-19(8-6-18)24-28-22(29-34-24)13-15-30(3)25(32)20-9-11-21(26)12-10-20/h5-12,17H,4,13-16H2,1-3H3,(H,27,31)

InChI Key

MPLOQVPXHOLOLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.657

Distribution Coefficient, logD

2.657

Water Solubility, LogSw

-3.03

Polar Surface Area

80.763

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

L084-0654 in Drug Discovery

Included in Screening Libraries

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

References: we are preparing a list of scientific research reports with L084-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L084-0654?
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What is the minimum amount of L084-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L084-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L084-0654
  • 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 L084-0654 available by request