C651-0045 Screening compound: 1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4-phenylpiperazine

C651-0045 Screening compound: 1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4-phenylpiperazine
C651-0045 Screening compound: 1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C651-0045
1-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4-phenylpiperazine

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

C651-0045

Molecular Formula

C21H23N3O3 (C21 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(C1)=NOC1C(N(CC1)CCN1c1ccccc1)=O

InChI

InChI=1S/C21H23N3O3/c1-26-18-9-7-16(8-10-18)19-15-20(27-22-19)21(25)24-13-11-23(12-14-24)17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3/t20-/m0/s1

InChI Key

QIHKRAXUPHWAAE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD08106172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

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

3.163

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-3.20

Polar Surface Area

50.284

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C651-0045 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C651-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C651-0045?
Check Price and Availability of C651-0045, 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 C651-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C651-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C651-0045
  • 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 C651-0045 available by request