G221-0014 Screening compound: N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2H-1,3-benzodioxol-5-amine

G221-0014 Screening compound: N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2H-1,3-benzodioxol-5-amine
G221-0014 Screening compound: N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2H-1,3-benzodioxol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G221-0014
N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2H-1,3-benzodioxol-5-amine

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

G221-0014

Molecular Formula

C22H16FN3O3 (C22 H16 FN3 O3)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)(5-phenyl-134-oxadiazol-2-yl)methyl]-2H-13-benzodioxol-5-amine

SMILES

Fc1ccc(C(c2nnc(-c3ccccc3)o2)Nc(cc2)cc3c2OCO3)cc1

InChI

InChI=1S/C22H16FN3O3/c23-16-8-6-14(7-9-16)20(24-17-10-11-18-19(12-17)28-13-27-18)22-26-25-21(29-22)15-4-2-1-3-5-15/h1-12,20,24H,13H2/t20-/m1/s1

InChI Key

RRZYKYUOEPGVSO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14988445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.494

Distribution Coefficient, logD

4.494

Water Solubility, LogSw

-4.48

Polar Surface Area

57.185

Acid Dissociation Constant (pKa)

16.19

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

G221-0014 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G221-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G221-0014?
Check Price and Availability of G221-0014, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G221-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G221-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G221-0014
  • 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 G221-0014 available by request