0336-0109 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide

0336-0109 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide
0336-0109 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0336-0109
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide

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

0336-0109

Molecular Formula

C15H11N3O4S (C15 H11 N3 O4 S)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-2-nitrobenzamide

SMILES

COc(cc1)cc2c1nc(NC(c(cccc1)c1[N+]([O-])=O)=O)s2

InChI

InChI=1S/C15H11N3O4S/c1-22-9-6-7-11-13(8-9)23-15(16-11)17-14(19)10-4-2-3-5-12(10)18(20)21/h2-8H,1H3,(H,16,17,19)

InChI Key

VAUWYBKCJGMCHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-4.15

Polar Surface Area

73.715

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

0336-0109 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 0336-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0336-0109?
Check Price and Availability of 0336-0109, 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 0336-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0336-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0336-0109
  • 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 0336-0109 available by request