K404-0682 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium

K404-0682 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium
K404-0682 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound K404-0682
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methoxyphenyl)-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

K404-0682

Molecular Formula

C22H25N2O4 (C22 H25 N2 O4)

Compound Name

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium

IUPAC name

3-(23-dihydro-14-benzodioxin-6-yl)-3-hydroxy-1-(2-methoxyphenyl)-2H3H5H6H7H8H-1lambda5-imidazo[12-a]pyridin-1-ylium

SMILES

COc(cccc1)c1[N+](C1)=C(CCCC2)N2C1(c(cc1)cc2c1OCCO2)O

InChI

InChI=1S/C22H25N2O4/c1-26-18-7-3-2-6-17(18)23-15-22(25,24-11-5-4-8-21(23)24)16-9-10-19-20(14-16)28-13-12-27-19/h2-3,6-7,9-10,14,25H,4-5,8,11-13,15H2,1H3/q+1/t22-/m0/s1

InChI Key

TUUMIVYBIOSJRJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02935858

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

381.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-2.44

Polar Surface Area

45.963

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-9.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with K404-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K404-0682?
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What is the minimum amount of K404-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K404-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K404-0682
  • 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 K404-0682 available by request