K404-0801 Screening compound: 3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(3-methylphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium

K404-0801 Screening compound: 3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(3-methylphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium
K404-0801 Screening compound: 3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(3-methylphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound K404-0801
3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(3-methylphenyl)-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

K404-0801

Molecular Formula

C21H23F2N2O2 (C21 H23 F2 N2 O2)

Compound Name

3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(3-methylphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium

IUPAC name

3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(3-methylphenyl)-2H3H5H6H7H8H-1lambda5-imidazo[12-a]pyridin-1-ylium

SMILES

Cc1cccc([N+](C2)=C(CCCC3)N3C2(c(cc2)ccc2OC(F)F)O)c1

InChI

InChI=1S/C21H23F2N2O2/c1-15-5-4-6-17(13-15)24-14-21(26,25-12-3-2-7-19(24)25)16-8-10-18(11-9-16)27-20(22)23/h4-6,8-11,13,20,26H,2-3,7,12,14H2,1H3/q+1/t21-/m0/s1

InChI Key

PROPKMANOPGBSD-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02935926

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

373.42

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

4.247

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.16

Polar Surface Area

29.416

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-11.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with K404-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K404-0801?
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What is the minimum amount of K404-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K404-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K404-0801
  • 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 K404-0801 available by request