8015-0843 Screening compound: N-(2,6-dimethylphenyl)-1,3-diethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

8015-0843 Screening compound: N-(2,6-dimethylphenyl)-1,3-diethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
8015-0843 Screening compound: N-(2,6-dimethylphenyl)-1,3-diethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0843
N-(2,6-dimethylphenyl)-1,3-diethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-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

8015-0843

Molecular Formula

C19H23N3O3S (C19 H23 N3 O3 S)

Compound Name

N-(2,6-dimethylphenyl)-1,3-diethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

IUPAC name

N-(26-dimethylphenyl)-13-diethyl-2-oxo-23-dihydro-1H-13-benzodiazole-5-sulfonamide

SMILES

CCN(c(ccc(S(Nc1c(C)cccc1C)(=O)=O)c1)c1N1CC)C1=O

InChI

InChI=1S/C19H23N3O3S/c1-5-21-16-11-10-15(12-17(16)22(6-2)19(21)23)26(24,25)20-18-13(3)8-7-9-14(18)4/h7-12,20H,5-6H2,1-4H3

InChI Key

CVFZCKNGHIPLPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.760

Distribution Coefficient, logD

3.750

Water Solubility, LogSw

-3.90

Polar Surface Area

57.095

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

8015-0843 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8015-0843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0843?
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What is the minimum amount of 8015-0843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0843
  • 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 8015-0843 available by request