1499-0690 Screening compound: 2-(4-fluorophenyl)-3-methyl-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-1H-1,3-benzodiazol-3-ium

1499-0690 Screening compound: 2-(4-fluorophenyl)-3-methyl-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-1H-1,3-benzodiazol-3-ium
1499-0690 Screening compound: 2-(4-fluorophenyl)-3-methyl-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-1H-1,3-benzodiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1499-0690
2-(4-fluorophenyl)-3-methyl-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-1H-1,3-benzodiazol-3-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

1499-0690

Molecular Formula

C26H32FN2O2 (C26 H32 FN2 O2)

Compound Name

2-(4-fluorophenyl)-3-methyl-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-1H-1,3-benzodiazol-3-ium

IUPAC name

2-(4-fluorophenyl)-3-methyl-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-1H-13-benzodiazol-3-ium

SMILES

CC(C)C(CCC(C)C1)C1OC(Cn1c(-c(cc2)ccc2F)[n+](C)c2c1cccc2)=O

InChI

InChI=1S/C26H32FN2O2/c1-17(2)21-14-9-18(3)15-24(21)31-25(30)16-29-23-8-6-5-7-22(23)28(4)26(29)19-10-12-20(27)13-11-19/h5-8,10-13,17-18,21,24H,9,14-16H2,1-4H3/q+1

InChI Key

XICGSKNNKYSGSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01037226

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

423.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.061

Distribution Coefficient, logD

7.061

Water Solubility, LogSw

-5.73

Polar Surface Area

22.144

Acid Dissociation Constant (pKa)

20.56

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

46.20

1499-0690 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1499-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1499-0690?
Check Price and Availability of 1499-0690, 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 1499-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1499-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1499-0690
  • 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 1499-0690 available by request