8016-0056 Screening compound: N~6~-(2-cyano-4,5-dimethoxyphenyl)-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

8016-0056 Screening compound: N~6~-(2-cyano-4,5-dimethoxyphenyl)-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
8016-0056 Screening compound: N~6~-(2-cyano-4,5-dimethoxyphenyl)-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0056
N~6~-(2-cyano-4,5-dimethoxyphenyl)-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

8016-0056

Molecular Formula

C16H13N3O5S2 (C16 H13 N3 O5 S2)

Compound Name

N~6~-(2-cyano-4,5-dimethoxyphenyl)-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

IUPAC name

N-(2-cyano-45-dimethoxyphenyl)-2-oxo-23-dihydro-13-benzothiazole-6-sulfonamide

SMILES

COc(c(OC)c1)cc(C#N)c1NS(c(cc1)cc(S2)c1NC2=O)(=O)=O

InChI

InChI=1S/C16H13N3O5S2/c1-23-13-5-9(8-17)12(7-14(13)24-2)19-26(21,22)10-3-4-11-15(6-10)25-16(20)18-11/h3-7,19H,1-2H3,(H,18,20)

InChI Key

QLQMAJSHKCIUTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.432

Distribution Coefficient, logD

0.666

Water Solubility, LogSw

-3.16

Polar Surface Area

96.655

Acid Dissociation Constant (pKa)

5.64

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8016-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0056?
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What is the minimum amount of 8016-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0056
  • 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 8016-0056 available by request