4501-0047 Screening compound: 1-hydroxy-2-(2-methoxyphenyl)-5,5-dimethyl-4-phenyl-2,5-dihydro-1H-imidazol-3-ium-3-olate

4501-0047 Screening compound: 1-hydroxy-2-(2-methoxyphenyl)-5,5-dimethyl-4-phenyl-2,5-dihydro-1H-imidazol-3-ium-3-olate
4501-0047 Screening compound: 1-hydroxy-2-(2-methoxyphenyl)-5,5-dimethyl-4-phenyl-2,5-dihydro-1H-imidazol-3-ium-3-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4501-0047
1-hydroxy-2-(2-methoxyphenyl)-5,5-dimethyl-4-phenyl-2,5-dihydro-1H-imidazol-3-ium-3-olate

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

4501-0047

Molecular Formula

C18H20N2O3 (C18 H20 N2 O3)

Compound Name

1-hydroxy-2-(2-methoxyphenyl)-5,5-dimethyl-4-phenyl-2,5-dihydro-1H-imidazol-3-ium-3-olate

IUPAC name

1-hydroxy-2-(2-methoxyphenyl)-55-dimethyl-4-phenyl-25-dihydro-1H-imidazol-3-ium-3-olate

SMILES

CC(C)(C(c1ccccc1)=[N+](C1c(cccc2)c2OC)[O-])N1O

InChI

InChI=1S/C18H20N2O3/c1-18(2)16(13-9-5-4-6-10-13)19(21)17(20(18)22)14-11-7-8-12-15(14)23-3/h4-12,17,22H,1-3H3/t17-/m1/s1

InChI Key

KUTABYUABZUUCP-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03447605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.101

Distribution Coefficient, logD

3.101

Water Solubility, LogSw

-3.15

Polar Surface Area

46.307

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

4501-0047 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4501-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4501-0047?
Check Price and Availability of 4501-0047, 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 4501-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4501-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4501-0047
  • 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 4501-0047 available by request