C651-0046 Screening compound: 1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine

C651-0046 Screening compound: 1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine
C651-0046 Screening compound: 1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C651-0046
1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]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

C651-0046

Molecular Formula

C21H22FN3O3 (C21 H22 FN3 O3)

Compound Name

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

IUPAC name

1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-45-dihydro-12-oxazole-5-carbonyl]piperazine

SMILES

COc(cc1)ccc1C(C1)=NOC1C(N(CC1)CCN1c(cc1)ccc1F)=O

InChI

InChI=1S/C21H22FN3O3/c1-27-18-8-2-15(3-9-18)19-14-20(28-23-19)21(26)25-12-10-24(11-13-25)17-6-4-16(22)5-7-17/h2-9,20H,10-14H2,1H3/t20-/m0/s1

InChI Key

ZDPLHUXEHCFEAO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD08106173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.33

Polar Surface Area

50.284

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C651-0046 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C651-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C651-0046?
Check Price and Availability of C651-0046, 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 C651-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C651-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C651-0046
  • 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 C651-0046 available by request