C732-0601 Screening compound: 2-[6-(cyclopentylsulfamoyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide

C732-0601 Screening compound: 2-[6-(cyclopentylsulfamoyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide
C732-0601 Screening compound: 2-[6-(cyclopentylsulfamoyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C732-0601
2-[6-(cyclopentylsulfamoyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-{[4-(dimethylamino)phenyl]methyl}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

C732-0601

Molecular Formula

C23H28N4O5S (C23 H28 N4 O5 S)

Compound Name

2-[6-(cyclopentylsulfamoyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide

IUPAC name

2-[6-(cyclopentylsulfamoyl)-2-oxo-23-dihydro-13-benzoxazol-3-yl]-N-{[4-(dimethylamino)phenyl]methyl}acetamide

SMILES

CN(C)c1ccc(CNC(CN(c(ccc(S(NC2CCCC2)(=O)=O)c2)c2O2)C2=O)=O)cc1

InChI

InChI=1S/C23H28N4O5S/c1-26(2)18-9-7-16(8-10-18)14-24-22(28)15-27-20-12-11-19(13-21(20)32-23(27)29)33(30,31)25-17-5-3-4-6-17/h7-13,17,25H,3-6,14-15H2,1-2H3,(H,24,28)

InChI Key

WDHMPJYDGPZIIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.876

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.67

Polar Surface Area

92.406

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C732-0601 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C732-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C732-0601?
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What is the minimum amount of C732-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C732-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C732-0601
  • 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 C732-0601 available by request