C599-0497 Screening compound: 4-ethoxy-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide

C599-0497 Screening compound: 4-ethoxy-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide
C599-0497 Screening compound: 4-ethoxy-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0497
4-ethoxy-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)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

C599-0497

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

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

IUPAC name

4-ethoxy-N-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide

SMILES

CCOc(cc1)ccc1C(N(Cc1nc(-c2cc(C)ccc2)no1)C(C)C)=O

InChI

InChI=1S/C22H25N3O3/c1-5-27-19-11-9-17(10-12-19)22(26)25(15(2)3)14-20-23-21(24-28-20)18-8-6-7-16(4)13-18/h6-13,15H,5,14H2,1-4H3

InChI Key

LJUFIRUNQMQOIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06007892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.018

Distribution Coefficient, logD

5.018

Water Solubility, LogSw

-4.64

Polar Surface Area

54.660

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

-5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C599-0497 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C599-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0497?
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What is the minimum amount of C599-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0497
  • 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 C599-0497 available by request