C301-6459 Screening compound: 3-chloro-N-({2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}methyl)aniline

C301-6459 Screening compound: 3-chloro-N-({2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}methyl)aniline
C301-6459 Screening compound: 3-chloro-N-({2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}methyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6459
3-chloro-N-({2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}methyl)aniline

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

C301-6459

Molecular Formula

C21H15Cl2N3O (C21 H15 Cl2 N3 O)

Compound Name

3-chloro-N-({2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}methyl)aniline

IUPAC name

3-chloro-N-({2-[5-(2-chlorophenyl)-134-oxadiazol-2-yl]phenyl}methyl)aniline

SMILES

Clc1cccc(NCc(cccc2)c2-c2nnc(-c(cccc3)c3Cl)o2)c1

InChI

InChI=1S/C21H15Cl2N3O/c22-15-7-5-8-16(12-15)24-13-14-6-1-2-9-17(14)20-25-26-21(27-20)18-10-3-4-11-19(18)23/h1-12,24H,13H2

InChI Key

GRUBIBJUEJLLLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.712

Distribution Coefficient, logD

5.712

Water Solubility, LogSw

-6.04

Polar Surface Area

40.717

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

C301-6459 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-6459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6459?
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What is the minimum amount of C301-6459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6459
  • 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 C301-6459 available by request