C599-0562 Screening compound: 2,3-dimethoxy-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide

C599-0562 Screening compound: 2,3-dimethoxy-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide
C599-0562 Screening compound: 2,3-dimethoxy-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 C599-0562
2,3-dimethoxy-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

C599-0562

Molecular Formula

C22H25N3O4 (C22 H25 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(Cc1nc(-c2cc(C)ccc2)no1)C(c(cccc1OC)c1OC)=O

InChI

InChI=1S/C22H25N3O4/c1-14(2)25(22(26)17-10-7-11-18(27-4)20(17)28-5)13-19-23-21(24-29-19)16-9-6-8-15(3)12-16/h6-12,14H,13H2,1-5H3

InChI Key

XUSVTWTWAHVFLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06630245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.550

Distribution Coefficient, logD

4.550

Water Solubility, LogSw

-4.56

Polar Surface Area

62.884

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C599-0562 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C599-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0562?
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What is the minimum amount of C599-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0562
  • 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 C599-0562 available by request