G418-0696 Screening compound: 1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-3-[2-(trifluoromethyl)phenyl]urea

G418-0696 Screening compound: 1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-3-[2-(trifluoromethyl)phenyl]urea
G418-0696 Screening compound: 1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-3-[2-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G418-0696
1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-3-[2-(trifluoromethyl)phenyl]urea

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

G418-0696

Molecular Formula

C23H16ClF3N4O2 (C23 H16 ClF3 N4 O2)

Compound Name

1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-3-[2-(trifluoromethyl)phenyl]urea

IUPAC name

1-{[5-(2-chlorophenyl)-134-oxadiazol-2-yl](phenyl)methyl}-3-[2-(trifluoromethyl)phenyl]urea

SMILES

O=C(NC(c1nnc(-c(cccc2)c2Cl)o1)c1ccccc1)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C23H16ClF3N4O2/c24-17-12-6-4-10-15(17)20-30-31-21(33-20)19(14-8-2-1-3-9-14)29-22(32)28-18-13-7-5-11-16(18)23(25,26)27/h1-13,19H,(H2,28,29,32)/t19-/m1/s1

InChI Key

MTHIUHAHKBYIIT-LJQANCHMSA-N

MDL Number (MFCD)

MFCD12129762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.132

Distribution Coefficient, logD

5.132

Water Solubility, LogSw

-5.49

Polar Surface Area

62.762

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

G418-0696 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G418-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G418-0696?
Check Price and Availability of G418-0696, 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 G418-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G418-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G418-0696
  • 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 G418-0696 available by request