C651-0325 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C651-0325 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
C651-0325 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C651-0325
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

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

C651-0325

Molecular Formula

C20H21FN2O4 (C20 H21 FN2 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-45-dihydro-12-oxazole-5-carboxamide

SMILES

COc(ccc(CCNC(C(C1)ON=C1c(cc1)ccc1F)=O)c1)c1OC

InChI

InChI=1S/C20H21FN2O4/c1-25-17-8-3-13(11-18(17)26-2)9-10-22-20(24)19-12-16(23-27-19)14-4-6-15(21)7-5-14/h3-8,11,19H,9-10,12H2,1-2H3,(H,22,24)/t19-/m1/s1

InChI Key

QZIRWDCEUDABMN-LJQANCHMSA-N

MDL Number (MFCD)

MFCD08106363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.431

Distribution Coefficient, logD

2.431

Water Solubility, LogSw

-2.90

Polar Surface Area

62.348

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C651-0325 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C651-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C651-0325?
Check Price and Availability of C651-0325, 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 C651-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C651-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C651-0325
  • 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 C651-0325 available by request