C732-0887 Screening compound: 2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}-N-(2-methoxyethyl)acetamide

C732-0887 Screening compound: 2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}-N-(2-methoxyethyl)acetamide
C732-0887 Screening compound: 2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}-N-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C732-0887
2-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl}-N-(2-methoxyethyl)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

C732-0887

Molecular Formula

C19H27N3O6S (C19 H27 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H27N3O6S/c1-13-8-14(2)11-21(10-13)29(25,26)15-4-5-16-17(9-15)28-19(24)22(16)12-18(23)20-6-7-27-3/h4-5,9,13-14H,6-8,10-12H2,1-3H3,(H,20,23)

InChI Key

JWRKPWMNDQIKOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.701

Distribution Coefficient, logD

1.701

Water Solubility, LogSw

-2.66

Polar Surface Area

87.572

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

C732-0887 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C732-0887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C732-0887?
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What is the minimum amount of C732-0887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C732-0887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C732-0887
  • 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 C732-0887 available by request