C582-0027 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(3,4,5-trimethoxyphenyl)acetamide

C582-0027 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(3,4,5-trimethoxyphenyl)acetamide
C582-0027 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C582-0027
2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(3,4,5-trimethoxyphenyl)acetamide

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

C582-0027

Molecular Formula

C21H21FN2O6 (C21 H21 FN2 O6)

Compound Name

2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(3,4,5-trimethoxyphenyl)acetamide

IUPAC name

2-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methoxy}-N-(345-trimethoxyphenyl)acetamide

SMILES

COc1cc(NC(COCc2noc(-c(cc3)ccc3F)c2)=O)cc(OC)c1OC

InChI

InChI=1S/C21H21FN2O6/c1-26-18-8-15(9-19(27-2)21(18)28-3)23-20(25)12-29-11-16-10-17(30-24-16)13-4-6-14(22)7-5-13/h4-10H,11-12H2,1-3H3,(H,23,25)

InChI Key

GJJQSOHRBBJHCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.960

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.43

Polar Surface Area

76.559

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C582-0027 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C582-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C582-0027?
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What is the minimum amount of C582-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C582-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C582-0027
  • 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 C582-0027 available by request