C226-1381 Screening compound: 1-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-4-(4-fluorophenyl)piperazine

C226-1381 Screening compound: 1-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-4-(4-fluorophenyl)piperazine
C226-1381 Screening compound: 1-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-4-(4-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-1381
1-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-4-(4-fluorophenyl)piperazine

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

C226-1381

Molecular Formula

C20H17ClFN3O2 (C20 H17 ClFN3 O2)

Compound Name

1-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-4-(4-fluorophenyl)piperazine

IUPAC name

1-[5-(3-chlorophenyl)-12-oxazole-3-carbonyl]-4-(4-fluorophenyl)piperazine

SMILES

O=C(c1noc(-c2cccc(Cl)c2)c1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C20H17ClFN3O2/c21-15-3-1-2-14(12-15)19-13-18(23-27-19)20(26)25-10-8-24(9-11-25)17-6-4-16(22)5-7-17/h1-7,12-13H,8-11H2

InChI Key

KJKSDKIKWLLTLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09782331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.61

Polar Surface Area

41.682

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C226-1381 in Drug Discovery

Included in Screening Libraries

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 C226-1381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-1381?
Check Price and Availability of C226-1381, 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 C226-1381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-1381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-1381
  • 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 C226-1381 available by request