K404-0749 Screening compound: 3-(2-fluoro-4-methoxyphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium

K404-0749 Screening compound: 3-(2-fluoro-4-methoxyphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium
K404-0749 Screening compound: 3-(2-fluoro-4-methoxyphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound K404-0749
3-(2-fluoro-4-methoxyphenyl)-3-hydroxy-1-(4-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

K404-0749

Molecular Formula

C21H24FN2O3 (C21 H24 FN2 O3)

Compound Name

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

IUPAC name

3-(2-fluoro-4-methoxyphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2H3H5H6H7H8H-1lambda5-imidazo[12-a]pyridin-1-ylium

SMILES

COc(cc1)ccc1[N+](C1)=C(CCCC2)N2C1(c(ccc(OC)c1)c1F)O

InChI

InChI=1S/C21H24FN2O3/c1-26-16-8-6-15(7-9-16)23-14-21(25,24-12-4-3-5-20(23)24)18-11-10-17(27-2)13-19(18)22/h6-11,13,25H,3-5,12,14H2,1-2H3/q+1/t21-/m0/s1

InChI Key

ILRVESZRQYGZJA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02935890

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

371.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-4.25

Polar Surface Area

37.898

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-10.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

K404-0749 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K404-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K404-0749?
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What is the minimum amount of K404-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K404-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K404-0749
  • 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 K404-0749 available by request