8016-1355 Screening compound: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

8016-1355 Screening compound: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
8016-1355 Screening compound: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1355
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-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

8016-1355

Molecular Formula

C19H23N3O6S3 (C19 H23 N3 O6 S3)

Compound Name

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

IUPAC name

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methyl-2-oxo-23-dihydro-13-benzothiazole-6-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc(NS(c(cc2)cc(S3)c2N(C)C3=O)(=O)=O)c1OC)(=O)=O

InChI

InChI=1S/C19H23N3O6S3/c1-5-22(6-2)31(26,27)14-8-10-17(28-4)15(11-14)20-30(24,25)13-7-9-16-18(12-13)29-19(23)21(16)3/h7-12,20H,5-6H2,1-4H3

InChI Key

JYUUZTOURXKXIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05260457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-3.59

Polar Surface Area

94.527

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

8016-1355 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-1355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1355?
Check Price and Availability of 8016-1355, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8016-1355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1355
  • 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 8016-1355 available by request