C582-0108 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(6-nitro-2-phenyl-1-benzofuran-4-yl)acetamide

C582-0108 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(6-nitro-2-phenyl-1-benzofuran-4-yl)acetamide
C582-0108 Screening compound: 2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(6-nitro-2-phenyl-1-benzofuran-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C582-0108
2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(6-nitro-2-phenyl-1-benzofuran-4-yl)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

C582-0108

Molecular Formula

C26H18FN3O6 (C26 H18 FN3 O6)

Compound Name

2-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy}-N-(6-nitro-2-phenyl-1-benzofuran-4-yl)acetamide

IUPAC name

2-{[5-(4-fluorophenyl)-12-oxazol-3-yl]methoxy}-N-(6-nitro-2-phenyl-1-benzofuran-4-yl)acetamide

SMILES

[O-][N+](c1cc(NC(COCc2noc(-c(cc3)ccc3F)c2)=O)c(cc(-c2ccccc2)o2)c2c1)=O

InChI

InChI=1S/C26H18FN3O6/c27-18-8-6-17(7-9-18)24-10-19(29-36-24)14-34-15-26(31)28-22-11-20(30(32)33)12-25-21(22)13-23(35-25)16-4-2-1-3-5-16/h1-13H,14-15H2,(H,28,31)

InChI Key

ZXYBRCCECMVNJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.420

Distribution Coefficient, logD

5.414

Water Solubility, LogSw

-5.94

Polar Surface Area

94.286

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

C582-0108 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C582-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C582-0108?
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What is the minimum amount of C582-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C582-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C582-0108
  • 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 C582-0108 available by request