C200-6618 Screening compound: 4-({4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-1-yl}methyl)aniline

C200-6618 Screening compound: 4-({4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-1-yl}methyl)aniline
C200-6618 Screening compound: 4-({4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-1-yl}methyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6618
4-({4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-1-yl}methyl)aniline

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

C200-6618

Molecular Formula

C18H14FN5O (C18 H14 FN5 O)

Compound Name

4-({4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-1-yl}methyl)aniline

IUPAC name

4-({4-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]-1H-imidazol-1-yl}methyl)aniline

SMILES

Nc1ccc(Cn2cnc(-c3nc(-c(cc4)ccc4F)no3)c2)cc1

InChI

InChI=1S/C18H14FN5O/c19-14-5-3-13(4-6-14)17-22-18(25-23-17)16-10-24(11-21-16)9-12-1-7-15(20)8-2-12/h1-8,10-11H,9,20H2

InChI Key

VJSRXVFJAWGBPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.963

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.08

Polar Surface Area

64.513

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

C200-6618 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C200-6618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6618?
Check Price and Availability of C200-6618, 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 C200-6618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6618
  • 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 C200-6618 available by request