5074-0038 Screening compound: 4-(4-fluorophenyl)-1-hydroxy-2,5,5-trimethyl-2,5-dihydro-1H-imidazol-3-ium-3-olate

5074-0038 Screening compound: 4-(4-fluorophenyl)-1-hydroxy-2,5,5-trimethyl-2,5-dihydro-1H-imidazol-3-ium-3-olate
5074-0038 Screening compound: 4-(4-fluorophenyl)-1-hydroxy-2,5,5-trimethyl-2,5-dihydro-1H-imidazol-3-ium-3-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5074-0038
4-(4-fluorophenyl)-1-hydroxy-2,5,5-trimethyl-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

5074-0038

Molecular Formula

C12H15FN2O2 (C12 H15 FN2 O2)

Compound Name

4-(4-fluorophenyl)-1-hydroxy-2,5,5-trimethyl-2,5-dihydro-1H-imidazol-3-ium-3-olate

IUPAC name

4-(4-fluorophenyl)-1-hydroxy-255-trimethyl-25-dihydro-1H-imidazol-3-ium-3-olate

SMILES

CC(N(C1(C)C)O)[N+]([O-])=C1c(cc1)ccc1F

InChI

InChI=1S/C12H15FN2O2/c1-8-14(16)11(12(2,3)15(8)17)9-4-6-10(13)7-5-9/h4-8,17H,1-3H3/t8-/m0/s1

InChI Key

JXMOARQKBCWQAI-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD02030474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.869

Distribution Coefficient, logD

1.868

Water Solubility, LogSw

-1.91

Polar Surface Area

38.130

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 5074-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5074-0038?
Check Price and Availability of 5074-0038, 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 5074-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5074-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5074-0038
  • 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 5074-0038 available by request