C732-0886 Screening compound: N-(3,5-dimethylphenyl)-2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetamide

C732-0886 Screening compound: N-(3,5-dimethylphenyl)-2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetamide
C732-0886 Screening compound: N-(3,5-dimethylphenyl)-2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C732-0886
N-(3,5-dimethylphenyl)-2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetamide

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

C732-0886

Molecular Formula

C24H29N3O5S (C24 H29 N3 O5 S)

Compound Name

N-(3,5-dimethylphenyl)-2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}acetamide

IUPAC name

N-(35-dimethylphenyl)-2-{6-[(35-dimethylpiperidin-1-yl)sulfonyl]-2-oxo-23-dihydro-13-benzoxazol-3-yl}acetamide

SMILES

CC(CC(C)C1)CN1S(c(cc1)cc(O2)c1N(CC(Nc1cc(C)cc(C)c1)=O)C2=O)(=O)=O

InChI

InChI=1S/C24H29N3O5S/c1-15-7-16(2)10-19(9-15)25-23(28)14-27-21-6-5-20(11-22(21)32-24(27)29)33(30,31)26-12-17(3)8-18(4)13-26/h5-7,9-11,17-18H,8,12-14H2,1-4H3,(H,25,28)

InChI Key

DOVXYABNWMWNIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.482

Water Solubility, LogSw

-4.39

Polar Surface Area

77.794

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

C732-0886 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C732-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C732-0886?
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What is the minimum amount of C732-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C732-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C732-0886
  • 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 C732-0886 available by request