C351-0017 Screening compound: 2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-phenyl-4,5-dihydro-1,3-oxazole

C351-0017 Screening compound: 2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-phenyl-4,5-dihydro-1,3-oxazole
C351-0017 Screening compound: 2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-phenyl-4,5-dihydro-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C351-0017
2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-phenyl-4,5-dihydro-1,3-oxazole

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

C351-0017

Molecular Formula

C20H17FN2O (C20 H17 FN2 O)

Compound Name

2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-phenyl-4,5-dihydro-1,3-oxazole

IUPAC name

2-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4-phenyl-45-dihydro-13-oxazole

SMILES

Fc1ccc(Cn2c(C(OC3)=NC3c3ccccc3)ccc2)cc1

InChI

InChI=1S/C20H17FN2O/c21-17-10-8-15(9-11-17)13-23-12-4-7-19(23)20-22-18(14-24-20)16-5-2-1-3-6-16/h1-12,18H,13-14H2/t18-/m1/s1

InChI Key

IYGJCRAQCRBRQO-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14750731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

4.490

Water Solubility, LogSw

-4.48

Polar Surface Area

20.143

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

C351-0017 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C351-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C351-0017?
Check Price and Availability of C351-0017, 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 C351-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C351-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C351-0017
  • 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 C351-0017 available by request