C166-0380 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)benzamide

C166-0380 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)benzamide
C166-0380 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C166-0380
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)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

C166-0380

Molecular Formula

C20H17N3O4S3 (C20 H17 N3 O4 S3)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)benzamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-4-(thiophene-2-sulfonamido)benzamide

SMILES

CCOc(cc1)cc2c1nc(NC(c(cc1)ccc1NS(c1cccs1)(=O)=O)=O)s2

InChI

InChI=1S/C20H17N3O4S3/c1-2-27-15-9-10-16-17(12-15)29-20(21-16)22-19(24)13-5-7-14(8-6-13)23-30(25,26)18-4-3-11-28-18/h3-12,23H,2H2,1H3,(H,21,22,24)

InChI Key

BZTYXTRAYOANMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.874

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.56

Polar Surface Area

81.883

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C166-0380 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)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C166-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C166-0380?
Check Price and Availability of C166-0380, 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 C166-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C166-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C166-0380
  • 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 C166-0380 available by request