C301-5847 Screening compound: N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,5-dimethoxyaniline

C301-5847 Screening compound: N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,5-dimethoxyaniline
C301-5847 Screening compound: N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,5-dimethoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5847
N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,5-dimethoxyaniline

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

C301-5847

Molecular Formula

C23H20FN3O3 (C23 H20 FN3 O3)

Compound Name

N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,5-dimethoxyaniline

IUPAC name

N-[(4-fluorophenyl)(5-phenyl-134-oxadiazol-2-yl)methyl]-25-dimethoxyaniline

SMILES

COc(cc1)cc(NC(c2nnc(-c3ccccc3)o2)c(cc2)ccc2F)c1OC

InChI

InChI=1S/C23H20FN3O3/c1-28-18-12-13-20(29-2)19(14-18)25-21(15-8-10-17(24)11-9-15)23-27-26-22(30-23)16-6-4-3-5-7-16/h3-14,21,25H,1-2H3/t21-/m1/s1

InChI Key

NXCXQKJXKJJNOC-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14744153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.685

Distribution Coefficient, logD

4.685

Water Solubility, LogSw

-4.51

Polar Surface Area

54.546

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

C301-5847 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-5847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5847?
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What is the minimum amount of C301-5847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5847
  • 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 C301-5847 available by request