L079-0665 Screening compound: N-benzyl-3-(2-{1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-methylformamido}ethyl)-1,2,4-oxadiazole-5-carboxamide

L079-0665 Screening compound: N-benzyl-3-(2-{1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-methylformamido}ethyl)-1,2,4-oxadiazole-5-carboxamide
L079-0665 Screening compound: N-benzyl-3-(2-{1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-methylformamido}ethyl)-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L079-0665
N-benzyl-3-(2-{1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-methylformamido}ethyl)-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

L079-0665

Molecular Formula

C23H20FN5O4 (C23 H20 FN5 O4)

Compound Name

N-benzyl-3-(2-{1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-methylformamido}ethyl)-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-benzyl-3-(2-{1-[5-(4-fluorophenyl)-12-oxazol-3-yl]-N-methylformamido}ethyl)-124-oxadiazole-5-carboxamide

SMILES

CN(CCc1noc(C(NCc2ccccc2)=O)n1)C(c1noc(-c(cc2)ccc2F)c1)=O

InChI

InChI=1S/C23H20FN5O4/c1-29(23(31)18-13-19(32-27-18)16-7-9-17(24)10-8-16)12-11-20-26-22(33-28-20)21(30)25-14-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,25,30)

InChI Key

PNRHIKRTONXWQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.962

Distribution Coefficient, logD

2.962

Water Solubility, LogSw

-3.47

Polar Surface Area

95.255

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

L079-0665 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L079-0665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L079-0665?
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What is the minimum amount of L079-0665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L079-0665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L079-0665
  • 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 L079-0665 available by request