4551-0222 Screening compound: 1-(4-chlorophenyl)-3-hydroxy-3-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium

4551-0222 Screening compound: 1-(4-chlorophenyl)-3-hydroxy-3-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
4551-0222 Screening compound: 1-(4-chlorophenyl)-3-hydroxy-3-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4551-0222
1-(4-chlorophenyl)-3-hydroxy-3-phenyl-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

4551-0222

Molecular Formula

C20H22ClN2O (C20 H22 ClN2 O)

Compound Name

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

IUPAC name

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

SMILES

OC(C1)(c2ccccc2)N(CCCCC2)C2=[N+]1c(cc1)ccc1Cl

InChI

InChI=1S/C20H22ClN2O/c21-17-10-12-18(13-11-17)22-15-20(24,16-7-3-1-4-8-16)23-14-6-2-5-9-19(22)23/h1,3-4,7-8,10-13,24H,2,5-6,9,14-15H2/q+1/t20-/m0/s1

InChI Key

UPXRZTUOTCZTEW-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

341.86

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-4.71

Polar Surface Area

23.142

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-9.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 4551-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4551-0222?
Check Price and Availability of 4551-0222, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4551-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4551-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4551-0222
  • 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 4551-0222 available by request