C289-0788 Screening compound: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-nitrophenyl)propanamide

C289-0788 Screening compound: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
C289-0788 Screening compound: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-nitrophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0788
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-nitrophenyl)propanamide

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

C289-0788

Molecular Formula

C18H15FN4O5 (C18 H15 FN4 O5)

Compound Name

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-nitrophenyl)propanamide

IUPAC name

3-[3-(2-fluorophenyl)-124-oxadiazol-5-yl]-N-(2-methoxy-5-nitrophenyl)propanamide

SMILES

COc(ccc([N+]([O-])=O)c1)c1NC(CCc1nc(-c(cccc2)c2F)no1)=O

InChI

InChI=1S/C18H15FN4O5/c1-27-15-7-6-11(23(25)26)10-14(15)20-16(24)8-9-17-21-18(22-28-17)12-4-2-3-5-13(12)19/h2-7,10H,8-9H2,1H3,(H,20,24)

InChI Key

HRWYARFNVFUSCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.001

Distribution Coefficient, logD

2.964

Water Solubility, LogSw

-3.65

Polar Surface Area

94.773

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C289-0788 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C289-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0788?
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What is the minimum amount of C289-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0788
  • 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 C289-0788 available by request