C732-0114 Screening compound: 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(piperidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

C732-0114 Screening compound: 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(piperidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one
C732-0114 Screening compound: 3-[2-(3,5-dimethylpiperidin-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 C732-0114
3-[2-(3,5-dimethylpiperidin-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

C732-0114

Molecular Formula

C21H29N3O5S (C21 H29 N3 O5 S)

Compound Name

3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(piperidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-[2-(35-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(piperidine-1-sulfonyl)-23-dihydro-13-benzoxazol-2-one

SMILES

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

InChI

InChI=1S/C21H29N3O5S/c1-15-10-16(2)13-22(12-15)20(25)14-24-18-7-6-17(11-19(18)29-21(24)26)30(27,28)23-8-4-3-5-9-23/h6-7,11,15-16H,3-5,8-10,12-14H2,1-2H3

InChI Key

OPJKJPGKMOOHTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.54

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

2.674

Distribution Coefficient, logD

2.674

Water Solubility, LogSw

-3.27

Polar Surface Area

71.037

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with C732-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C732-0114?
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What is the minimum amount of C732-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C732-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C732-0114
  • 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 C732-0114 available by request