C651-0925 Screening compound: 1-[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4-(furan-2-carbonyl)piperazine

C651-0925 Screening compound: 1-[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4-(furan-2-carbonyl)piperazine
C651-0925 Screening compound: 1-[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4-(furan-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C651-0925
1-[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4-(furan-2-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

C651-0925

Molecular Formula

C21H23N3O6 (C21 H23 N3 O6)

Compound Name

1-[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4-(furan-2-carbonyl)piperazine

IUPAC name

1-[3-(34-dimethoxyphenyl)-45-dihydro-12-oxazole-5-carbonyl]-4-(furan-2-carbonyl)piperazine

SMILES

COc(ccc(C(C1)=NOC1C(N(CC1)CCN1C(c1ccco1)=O)=O)c1)c1OC

InChI

InChI=1S/C21H23N3O6/c1-27-16-6-5-14(12-18(16)28-2)15-13-19(30-22-15)21(26)24-9-7-23(8-10-24)20(25)17-4-3-11-29-17/h3-6,11-12,19H,7-10,13H2,1-2H3/t19-/m0/s1

InChI Key

JAUSTCCVPGYSQF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08106584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.352

Distribution Coefficient, logD

1.352

Water Solubility, LogSw

-1.76

Polar Surface Area

79.776

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

C651-0925 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C651-0925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C651-0925?
Check Price and Availability of C651-0925, 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 C651-0925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C651-0925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C651-0925
  • 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 C651-0925 available by request