5786-0663 Screening compound: N-[2-hydroxy-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzene-1-sulfonamide

5786-0663 Screening compound: N-[2-hydroxy-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzene-1-sulfonamide
5786-0663 Screening compound: N-[2-hydroxy-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-0663
N-[2-hydroxy-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzene-1-sulfonamide

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

5786-0663

Molecular Formula

C25H27N3O4S (C25 H27 N3 O4 S)

Compound Name

N-[2-hydroxy-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzene-1-sulfonamide

IUPAC name

N-[2-hydroxy-3-(2-methyl-1H-13-benzodiazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzene-1-sulfonamide

SMILES

Cc1nc(cccc2)c2n1CC(CN(c(cc1)ccc1OC)S(c1ccc(C)cc1)(=O)=O)O

InChI

InChI=1S/C25H27N3O4S/c1-18-8-14-23(15-9-18)33(30,31)28(20-10-12-22(32-3)13-11-20)17-21(29)16-27-19(2)26-24-6-4-5-7-25(24)27/h4-15,21,29H,16-17H2,1-3H3/t21-/m1/s1

InChI Key

DINSBPGJMCGVAB-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03016093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.299

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-4.27

Polar Surface Area

66.933

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

5786-0663 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5786-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-0663?
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What is the minimum amount of 5786-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-0663
  • 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 5786-0663 available by request