8010-9027 Screening compound: 3,4,5-trimethoxy-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}benzamide

8010-9027 Screening compound: 3,4,5-trimethoxy-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}benzamide
8010-9027 Screening compound: 3,4,5-trimethoxy-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9027
3,4,5-trimethoxy-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}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

8010-9027

Molecular Formula

C22H28N2O6S (C22 H28 N2 O6 S)

Compound Name

3,4,5-trimethoxy-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}benzamide

IUPAC name

345-trimethoxy-N-{4-[(2-methylpiperidin-1-yl)sulfonyl]phenyl}benzamide

SMILES

CC(CCCC1)N1S(c(cc1)ccc1NC(c(cc1OC)cc(OC)c1OC)=O)(=O)=O

InChI

InChI=1S/C22H28N2O6S/c1-15-7-5-6-12-24(15)31(26,27)18-10-8-17(9-11-18)23-22(25)16-13-19(28-2)21(30-4)20(14-16)29-3/h8-11,13-15H,5-7,12H2,1-4H3,(H,23,25)/t15-/m0/s1

InChI Key

CJGSZAGZCQBGGW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01797450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

3.210

Water Solubility, LogSw

-3.74

Polar Surface Area

78.080

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

8010-9027 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-9027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9027?
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What is the minimum amount of 8010-9027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9027
  • 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 8010-9027 available by request