K843-0059 Screening compound: 1-(4-ethylphenyl)-2-hydroxy-2-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium

K843-0059 Screening compound: 1-(4-ethylphenyl)-2-hydroxy-2-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
K843-0059 Screening compound: 1-(4-ethylphenyl)-2-hydroxy-2-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound K843-0059
1-(4-ethylphenyl)-2-hydroxy-2-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-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

K843-0059

Molecular Formula

C22H26N3O3 (C22 H26 N3 O3)

Compound Name

1-(4-ethylphenyl)-2-hydroxy-2-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium

IUPAC name

1-(4-ethylphenyl)-2-hydroxy-2-(4-nitrophenyl)-2H3H5H6H7H8H9H-1lambda5-imidazo[12-a]azepin-1-ylium

SMILES

CCc(cc1)ccc1[N+](C(C1)(c(cc2)ccc2[N+]([O-])=O)O)=C2N1CCCCC2

InChI

InChI=1S/C22H26N3O3/c1-2-17-7-11-19(12-8-17)24-21-6-4-3-5-15-23(21)16-22(24,26)18-9-13-20(14-10-18)25(27)28/h7-14,26H,2-6,15-16H2,1H3/q+1/t22-/m0/s1

InChI Key

AWEMMHFHLYZBPG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02725077

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.047

Distribution Coefficient, logD

5.047

Water Solubility, LogSw

-4.39

Polar Surface Area

56.642

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

-6.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

K843-0059 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K843-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K843-0059?
Check Price and Availability of K843-0059, 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 K843-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K843-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K843-0059
  • 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 K843-0059 available by request