C732-0893 Screening compound: 2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}-N-(2-methylcyclohexyl)acetamide

C732-0893 Screening compound: 2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}-N-(2-methylcyclohexyl)acetamide
C732-0893 Screening compound: 2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}-N-(2-methylcyclohexyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C732-0893
2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}-N-(2-methylcyclohexyl)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

C732-0893

Molecular Formula

C23H33N3O5S (C23 H33 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC(C)C1)CN1S(c(cc1)cc(O2)c1N(CC(NC1C(C)CCCC1)=O)C2=O)(=O)=O

InChI

InChI=1S/C23H33N3O5S/c1-15-10-16(2)13-25(12-15)32(29,30)18-8-9-20-21(11-18)31-23(28)26(20)14-22(27)24-19-7-5-4-6-17(19)3/h8-9,11,15-17,19H,4-7,10,12-14H2,1-3H3,(H,24,27)

InChI Key

TYTKPZXMWDJDPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

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

3.956

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-4.05

Polar Surface Area

79.232

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

65.20

C732-0893 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C732-0893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C732-0893?
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What is the minimum amount of C732-0893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C732-0893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C732-0893
  • 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 C732-0893 available by request