C804-0023 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl1H-imidazole-4-sulfonamido)acetamide

C804-0023 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl1H-imidazole-4-sulfonamido)acetamide
C804-0023 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl1H-imidazole-4-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C804-0023
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl1H-imidazole-4-sulfonamido)acetamide

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

C804-0023

Molecular Formula

C15H17N5O4S2 (C15 H17 N5 O4 S2)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(N-methyl1H-imidazole-4-sulfonamido)acetamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-2-(N-methyl1H-imidazole-4-sulfonamido)acetamide

SMILES

CCOc(cc1)cc2c1nc(NC(CN(C)S(c1c[nH]cn1)(=O)=O)=O)s2

InChI

InChI=1S/C15H17N5O4S2/c1-3-24-10-4-5-11-12(6-10)25-15(18-11)19-13(21)8-20(2)26(22,23)14-7-16-9-17-14/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H,18,19,21)

InChI Key

JARUTILSKZQGLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.103

Distribution Coefficient, logD

2.103

Water Solubility, LogSw

-3.14

Polar Surface Area

93.910

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C804-0023 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C804-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C804-0023?
Check Price and Availability of C804-0023, 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 C804-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C804-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C804-0023
  • 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 C804-0023 available by request