C301-6566 Screening compound: N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,4-dimethoxyaniline

C301-6566 Screening compound: N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,4-dimethoxyaniline
C301-6566 Screening compound: N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,4-dimethoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6566
N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,4-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

C301-6566

Molecular Formula

C23H18ClF2N3O3 (C23 H18 ClF2 N3 O3)

Compound Name

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

IUPAC name

N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-134-oxadiazol-2-yl]methyl]-34-dimethoxyaniline

SMILES

COc(ccc(NC(c1nnc(-c2cc(F)ccc2)o1)c(ccc(F)c1)c1Cl)c1)c1OC

InChI

InChI=1S/C23H18ClF2N3O3/c1-30-19-9-7-16(12-20(19)31-2)27-21(17-8-6-15(26)11-18(17)24)23-29-28-22(32-23)13-4-3-5-14(25)10-13/h3-12,21,27H,1-2H3/t21-/m1/s1

InChI Key

KSLVQOYLRCRDRT-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14744514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.86

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

5.331

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-6.16

Polar Surface Area

55.330

Acid Dissociation Constant (pKa)

16.19

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with C301-6566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6566?
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What is the minimum amount of C301-6566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6566
  • 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 C301-6566 available by request