C732-0067 Screening compound: N-(2,5-DIMETHYLPHENYL)-2-[2-OXO-6-(PIPERIDINE-1-SULFONYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL]ACETAMIDE

C732-0067 Screening compound: N-(2,5-DIMETHYLPHENYL)-2-[2-OXO-6-(PIPERIDINE-1-SULFONYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL]ACETAMIDE
C732-0067 Screening compound: N-(2,5-DIMETHYLPHENYL)-2-[2-OXO-6-(PIPERIDINE-1-SULFONYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C732-0067
N-(2,5-DIMETHYLPHENYL)-2-[2-OXO-6-(PIPERIDINE-1-SULFONYL)-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

C732-0067

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

N-(2,5-DIMETHYLPHENYL)-2-[2-OXO-6-(PIPERIDINE-1-SULFONYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL]ACETAMIDE

IUPAC name

N-(25-dimethylphenyl)-2-[2-oxo-6-(piperidine-1-sulfonyl)-23-dihydro-13-benzoxazol-3-yl]acetamide

SMILES

Cc1cc(NC(CN(c(ccc(S(N2CCCCC2)(=O)=O)c2)c2O2)C2=O)=O)c(C)cc1

InChI

InChI=1S/C22H25N3O5S/c1-15-6-7-16(2)18(12-15)23-21(26)14-25-19-9-8-17(13-20(19)30-22(25)27)31(28,29)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,26)

InChI Key

DNFNSGGEEMUTRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

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

2.871

Distribution Coefficient, logD

2.871

Water Solubility, LogSw

-3.41

Polar Surface Area

77.229

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C732-0067 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C732-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C732-0067?
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What is the minimum amount of C732-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C732-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C732-0067
  • 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 C732-0067 available by request