G221-0003 Screening compound: N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitroaniline

G221-0003 Screening compound: N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitroaniline
G221-0003 Screening compound: N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound G221-0003
N-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitroaniline

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

G221-0003

Molecular Formula

C22H17FN4O3 (C22 H17 FN4 O3)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)(5-phenyl-134-oxadiazol-2-yl)methyl]-2-methyl-3-nitroaniline

SMILES

Cc(c([N+]([O-])=O)ccc1)c1NC(c1nnc(-c2ccccc2)o1)c(cc1)ccc1F

InChI

InChI=1S/C22H17FN4O3/c1-14-18(8-5-9-19(14)27(28)29)24-20(15-10-12-17(23)13-11-15)22-26-25-21(30-22)16-6-3-2-4-7-16/h2-13,20,24H,1H3/t20-/m1/s1

InChI Key

RHPVVBBDUBTWNB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14988439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.4

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

4.946

Distribution Coefficient, logD

4.946

Water Solubility, LogSw

-4.76

Polar Surface Area

72.452

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

G221-0003 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G221-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G221-0003?
Check Price and Availability of G221-0003, 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 G221-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G221-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G221-0003
  • 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 G221-0003 available by request