4551-0569 Screening compound: 3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium

4551-0569 Screening compound: 3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
4551-0569 Screening compound: 3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4551-0569
3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-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

4551-0569

Molecular Formula

C21H24ClN2O2 (C21 H24 ClN2 O2)

Compound Name

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

IUPAC name

3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2H3H5H6H7H8H9H-1lambda5-imidazo[12-a]azepin-1-ylium

SMILES

COc(cc1)ccc1[N+](C1)=C(CCCCC2)N2C1(c(cc1)ccc1Cl)O

InChI

InChI=1S/C21H24ClN2O2/c1-26-19-12-10-18(11-13-19)23-15-21(25,16-6-8-17(22)9-7-16)24-14-4-2-3-5-20(23)24/h6-13,25H,2-5,14-15H2,1H3/q+1/t21-/m0/s1

InChI Key

MKOZJRHQPHBRMC-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

371.89

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.767

Distribution Coefficient, logD

4.767

Water Solubility, LogSw

-4.70

Polar Surface Area

30.685

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-9.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 4551-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4551-0569?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4551-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4551-0569
  • 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 4551-0569 available by request