2332-0957 Screening compound: 2-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium

2332-0957 Screening compound: 2-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
2332-0957 Screening compound: 2-hydroxy-1-(4-methylphenyl)-2-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 2332-0957
2-hydroxy-1-(4-methylphenyl)-2-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

2332-0957

Molecular Formula

C21H25N2O (C21 H25 N2 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1[N+](C(C1)(c2ccccc2)O)=C2N1CCCCC2

InChI

InChI=1S/C21H25N2O/c1-17-11-13-19(14-12-17)23-20-10-6-3-7-15-22(20)16-21(23,24)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,24H,3,6-7,10,15-16H2,1H3/q+1/t21-/m0/s1

InChI Key

XSHJASNUEYREHS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01037773

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

321.44

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

4.509

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-4.15

Polar Surface Area

23.260

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

-6.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 2332-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-0957?
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What is the minimum amount of 2332-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-0957
  • 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 2332-0957 available by request