G418-1085 Screening compound: N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide

G418-1085 Screening compound: N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
G418-1085 Screening compound: N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G418-1085
N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide

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

G418-1085

Molecular Formula

C23H16FN3O4 (C23 H16 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc2c1OCO2)NC(c1nnc(-c2ccccc2)o1)c(cc1)ccc1F

InChI

InChI=1S/C23H16FN3O4/c24-17-9-6-14(7-10-17)20(23-27-26-22(31-23)15-4-2-1-3-5-15)25-21(28)16-8-11-18-19(12-16)30-13-29-18/h1-12,20H,13H2,(H,25,28)/t20-/m1/s1

InChI Key

NBXQPIATQWRHDP-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD15011772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.942

Distribution Coefficient, logD

3.942

Water Solubility, LogSw

-4.21

Polar Surface Area

71.363

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-5.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

G418-1085 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G418-1085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G418-1085?
Check Price and Availability of G418-1085, 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 G418-1085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G418-1085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G418-1085
  • 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 G418-1085 available by request