3330-0346 Screening compound: N-(4-acetylphenyl)-4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamide

3330-0346 Screening compound: N-(4-acetylphenyl)-4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamide
3330-0346 Screening compound: N-(4-acetylphenyl)-4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-0346
N-(4-acetylphenyl)-4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamide

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

3330-0346

Molecular Formula

C22H26N2O4S (C22 H26 N2 O4 S)

Compound Name

N-(4-acetylphenyl)-4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamide

IUPAC name

N-(4-acetylphenyl)-4-[(35-dimethylpiperidin-1-yl)sulfonyl]benzamide

SMILES

CC(CC(C)C1)CN1S(c(cc1)ccc1C(Nc(cc1)ccc1C(C)=O)=O)(=O)=O

InChI

InChI=1S/C22H26N2O4S/c1-15-12-16(2)14-24(13-15)29(27,28)21-10-6-19(7-11-21)22(26)23-20-8-4-18(5-9-20)17(3)25/h4-11,15-16H,12-14H2,1-3H3,(H,23,26)

InChI Key

PGMLRMSDHDHYOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-3.84

Polar Surface Area

68.734

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

3330-0346 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3330-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-0346?
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What is the minimum amount of 3330-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-0346
  • 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 3330-0346 available by request