1189-2703 Screening compound: 2-anilino-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazol-3-ium

1189-2703 Screening compound: 2-anilino-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazol-3-ium
1189-2703 Screening compound: 2-anilino-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-2703
2-anilino-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazol-3-ium

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

1189-2703

Molecular Formula

C24H22N3O4S (C24 H22 N3 O4 S)

Compound Name

2-anilino-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-(4-methoxyphenyl)-1,3-thiazol-3-ium

IUPAC name

3-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-(4-methoxyphenyl)-2-(phenylamino)-13-thiazol-3-ium

SMILES

COc(cc1)ccc1-c1csc(Nc2ccccc2)[n+]1CC(c(cc1)ccc1[N+]([O-])=O)O

InChI

InChI=1S/C24H21N3O4S/c1-31-21-13-9-17(10-14-21)22-16-32-24(25-19-5-3-2-4-6-19)26(22)15-23(28)18-7-11-20(12-8-18)27(29)30/h2-14,16,23,28H,15H2,1H3/p+1

InChI Key

QKZRRGSYSBVQHQ-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD01930831

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.856

Distribution Coefficient, logD

5.856

Water Solubility, LogSw

-5.68

Polar Surface Area

66.810

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-9.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

1189-2703 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Frequent Hitters Library (7624 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1189-2703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-2703?
Check Price and Availability of 1189-2703, 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 1189-2703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-2703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-2703
  • 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 1189-2703 available by request