5983-5230 Screening compound: N~1~-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide

5983-5230 Screening compound: N~1~-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide
5983-5230 Screening compound: N~1~-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5983-5230
N~1~-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide

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

5983-5230

Molecular Formula

C17H15N3O7S (C17 H15 N3 O7 S)

Compound Name

N~1~-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide

IUPAC name

N-(2-methoxy-5-nitrophenyl)-3-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)propanamide

SMILES

COc(ccc([N+]([O-])=O)c1)c1NC(CCN(C(c1c2cccc1)=O)S2(=O)=O)=O

InChI

InChI=1S/C17H15N3O7S/c1-27-14-7-6-11(20(23)24)10-13(14)18-16(21)8-9-19-17(22)12-4-2-3-5-15(12)28(19,25)26/h2-7,10H,8-9H2,1H3,(H,18,21)

InChI Key

CPCJRVNTADJTFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03997820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.39

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.060

Distribution Coefficient, logD

1.017

Water Solubility, LogSw

-2.52

Polar Surface Area

108.626

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

5983-5230 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5983-5230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5983-5230?
Check Price and Availability of 5983-5230, 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 5983-5230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5983-5230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5983-5230
  • 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 5983-5230 available by request