C651-0290 Screening compound: 2-ethyl-1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine

C651-0290 Screening compound: 2-ethyl-1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine
C651-0290 Screening compound: 2-ethyl-1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C651-0290
2-ethyl-1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine

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

C651-0290

Molecular Formula

C17H21FN2O2 (C17 H21 FN2 O2)

Compound Name

2-ethyl-1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine

IUPAC name

2-ethyl-1-[3-(4-fluorophenyl)-45-dihydro-12-oxazole-5-carbonyl]piperidine

SMILES

CCC(CCCC1)N1C(C(C1)ON=C1c(cc1)ccc1F)=O

InChI

InChI=1S/C17H21FN2O2/c1-2-14-5-3-4-10-20(14)17(21)16-11-15(19-22-16)12-6-8-13(18)9-7-12/h6-9,14,16H,2-5,10-11H2,1H3

InChI Key

JHNVUMCIRZRPAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.257

Distribution Coefficient, logD

3.257

Water Solubility, LogSw

-3.14

Polar Surface Area

39.126

Acid Dissociation Constant (pKa)

17.18

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

C651-0290 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C651-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C651-0290?
Check Price and Availability of C651-0290, 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 C651-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C651-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C651-0290
  • 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 C651-0290 available by request