C301-6528 Screening compound: 4-chloro-N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline

C301-6528 Screening compound: 4-chloro-N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
C301-6528 Screening compound: 4-chloro-N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6528
4-chloro-N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]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

C301-6528

Molecular Formula

C21H13Cl2F2N3O (C21 H13 Cl2 F2 N3 O)

Compound Name

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

IUPAC name

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

SMILES

Fc1cccc(-c2nnc(C(c(ccc(F)c3)c3Cl)Nc(cc3)ccc3Cl)o2)c1

InChI

InChI=1S/C21H13Cl2F2N3O/c22-13-4-7-16(8-5-13)26-19(17-9-6-15(25)11-18(17)23)21-28-27-20(29-21)12-2-1-3-14(24)10-12/h1-11,19,26H/t19-/m1/s1

InChI Key

UABTZILMFKFRTB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD12129370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.26

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

6.511

Distribution Coefficient, logD

6.511

Water Solubility, LogSw

-6.75

Polar Surface Area

40.069

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with C301-6528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6528?
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What is the minimum amount of C301-6528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6528
  • 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 C301-6528 available by request