5692-1255 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-[1,1-dioxo-1lambda~6~-naphtho[1,8-cd]isothiazol-2(1H)-yl]acetamide

5692-1255 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-[1,1-dioxo-1lambda~6~-naphtho[1,8-cd]isothiazol-2(1H)-yl]acetamide
5692-1255 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-[1,1-dioxo-1lambda~6~-naphtho[1,8-cd]isothiazol-2(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5692-1255
N~1~-(3,4-dimethoxyphenethyl)-2-[1,1-dioxo-1lambda~6~-naphtho[1,8-cd]isothiazol-2(1H)-yl]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

5692-1255

Molecular Formula

C22H22N2O5S (C22 H22 N2 O5 S)

Compound Name

N~1~-(3,4-dimethoxyphenethyl)-2-[1,1-dioxo-1lambda~6~-naphtho[1,8-cd]isothiazol-2(1H)-yl]acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-{22-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0^{412}]dodeca-1(12)46810-pentaen-3-yl}acetamide

SMILES

COc(ccc(CCNC(CN(c1c(c2ccc3)c3ccc1)S2(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C22H22N2O5S/c1-28-18-10-9-15(13-19(18)29-2)11-12-23-21(25)14-24-17-7-3-5-16-6-4-8-20(22(16)17)30(24,26)27/h3-10,13H,11-12,14H2,1-2H3,(H,23,25)

InChI Key

KGAXUXYWPCXXJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05240640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.085

Distribution Coefficient, logD

2.085

Water Solubility, LogSw

-3.28

Polar Surface Area

70.702

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

5692-1255 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5692-1255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5692-1255?
Check Price and Availability of 5692-1255, 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 5692-1255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5692-1255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5692-1255
  • 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 5692-1255 available by request