C732-0055 Screening compound: 3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-6-(piperidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

C732-0055 Screening compound: 3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-6-(piperidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one
C732-0055 Screening compound: 3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-6-(piperidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C732-0055
3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-6-(piperidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

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

C732-0055

Molecular Formula

C20H27N3O5S (C20 H27 N3 O5 S)

Compound Name

3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-6-(piperidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-6-(piperidine-1-sulfonyl)-23-dihydro-13-benzoxazol-2-one

SMILES

CC(CCC1)CN1C(CN(c(ccc(S(N1CCCCC1)(=O)=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C20H27N3O5S/c1-15-6-5-9-21(13-15)19(24)14-23-17-8-7-16(12-18(17)28-20(23)25)29(26,27)22-10-3-2-4-11-22/h7-8,12,15H,2-6,9-11,13-14H2,1H3/t15-/m0/s1

InChI Key

WFZHUYBVNITLMI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14788881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.125

Distribution Coefficient, logD

2.125

Water Solubility, LogSw

-2.94

Polar Surface Area

71.104

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

C732-0055 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 C732-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C732-0055?
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What is the minimum amount of C732-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C732-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C732-0055
  • 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 C732-0055 available by request