4551-0543 Screening compound: 1-(2,5-dimethoxyphenyl)-3-(4-ethylphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium

4551-0543 Screening compound: 1-(2,5-dimethoxyphenyl)-3-(4-ethylphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
4551-0543 Screening compound: 1-(2,5-dimethoxyphenyl)-3-(4-ethylphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4551-0543
1-(2,5-dimethoxyphenyl)-3-(4-ethylphenyl)-3-hydroxy-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

4551-0543

Molecular Formula

C24H31N2O3 (C24 H31 N2 O3)

Compound Name

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

IUPAC name

1-(25-dimethoxyphenyl)-3-(4-ethylphenyl)-3-hydroxy-2H3H5H6H7H8H9H-1lambda5-imidazo[12-a]azepin-1-ylium

SMILES

CCc1ccc(C(C2)(N(CCCCC3)C3=[N+]2c(cc(cc2)OC)c2OC)O)cc1

InChI

InChI=1S/C24H31N2O3/c1-4-18-9-11-19(12-10-18)24(27)17-25(23-8-6-5-7-15-26(23)24)21-16-20(28-2)13-14-22(21)29-3/h9-14,16,27H,4-8,15,17H2,1-3H3/q+1/t24-/m0/s1

InChI Key

VPDYHWWOPZCXRM-DEOSSOPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

395.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.211

Distribution Coefficient, logD

5.211

Water Solubility, LogSw

-4.79

Polar Surface Area

38.015

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-8.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with 4551-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4551-0543?
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What is the minimum amount of 4551-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4551-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4551-0543
  • 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 4551-0543 available by request