K843-0012 Screening compound: 1-(4-methoxyphenyl)-3-(4-nitrophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium

K843-0012 Screening compound: 1-(4-methoxyphenyl)-3-(4-nitrophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
K843-0012 Screening compound: 1-(4-methoxyphenyl)-3-(4-nitrophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound K843-0012
1-(4-methoxyphenyl)-3-(4-nitrophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-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

K843-0012

Molecular Formula

C19H18N3O3S (C19 H18 N3 O3 S)

Compound Name

1-(4-methoxyphenyl)-3-(4-nitrophenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium

IUPAC name

1-(4-methoxyphenyl)-3-(4-nitrophenyl)-5H6H7H-1lambda5-imidazo[21-b][13]thiazin-1-ylium

SMILES

COc(cc1)ccc1-[n+]1c2SCCCn2c(-c(cc2)ccc2[N+]([O-])=O)c1

InChI

InChI=1S/C19H18N3O3S/c1-25-17-9-7-15(8-10-17)21-13-18(20-11-2-12-26-19(20)21)14-3-5-16(6-4-14)22(23)24/h3-10,13H,2,11-12H2,1H3/q+1

InChI Key

UKEPZZHYYOKVOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02724988

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

368.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.875

Distribution Coefficient, logD

4.875

Water Solubility, LogSw

-4.42

Polar Surface Area

41.526

Acid Dissociation Constant (pKa)

26.85

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

K843-0012 in Drug Discovery

Included in Screening Libraries

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

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 K843-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K843-0012?
Check Price and Availability of K843-0012, 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 K843-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K843-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K843-0012
  • 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 K843-0012 available by request