K404-0689 Screening compound: 1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium

K404-0689 Screening compound: 1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium
K404-0689 Screening compound: 1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound K404-0689
1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-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

K404-0689

Molecular Formula

C23H29N2O2 (C23 H29 N2 O2)

Compound Name

1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium

IUPAC name

1-(23-dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2H3H5H6H7H8H-1lambda5-imidazo[12-a]pyridin-1-ylium

SMILES

CCOc1ccc(C(C2)(N(CCCC3)C3=[N+]2c2c(C)c(C)ccc2)O)cc1

InChI

InChI=1S/C23H29N2O2/c1-4-27-20-13-11-19(12-14-20)23(26)16-24(22-10-5-6-15-25(22)23)21-9-7-8-17(2)18(21)3/h7-9,11-14,26H,4-6,10,15-16H2,1-3H3/q+1/t23-/m0/s1

InChI Key

MDECVIKGSNUKRQ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02935862

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

365.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.932

Distribution Coefficient, logD

4.932

Water Solubility, LogSw

-4.26

Polar Surface Area

29.633

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-10.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with K404-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K404-0689?
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What is the minimum amount of K404-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K404-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K404-0689
  • 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 K404-0689 available by request