C732-0867 Screening compound: 6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,3-benzoxazol-2-one

C732-0867 Screening compound: 6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,3-benzoxazol-2-one
C732-0867 Screening compound: 6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C732-0867
6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-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

C732-0867

Molecular Formula

C22H31N3O5S (C22 H31 N3 O5 S)

Compound Name

6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

6-[(35-dimethylpiperidin-1-yl)sulfonyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-23-dihydro-13-benzoxazol-2-one

SMILES

CC(CC1)CCN1C(CN(c(ccc(S(N1CC(C)CC(C)C1)(=O)=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C22H31N3O5S/c1-15-6-8-23(9-7-15)21(26)14-25-19-5-4-18(11-20(19)30-22(25)27)31(28,29)24-12-16(2)10-17(3)13-24/h4-5,11,15-17H,6-10,12-14H2,1-3H3

InChI Key

SZHGPTJCKAKDSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

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

3.048

Distribution Coefficient, logD

3.048

Water Solubility, LogSw

-3.66

Polar Surface Area

71.037

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.60

References: we are preparing a list of scientific research reports with C732-0867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C732-0867?
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What is the minimum amount of C732-0867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C732-0867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C732-0867
  • 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 C732-0867 available by request