8005-1737 Screening compound: 4-amino-N'-[(E)-[2-(trifluoromethyl)phenyl]methylidene]-1,2,5-oxadiazole-3-carbohydrazide

8005-1737 Screening compound: 4-amino-N'-[(E)-[2-(trifluoromethyl)phenyl]methylidene]-1,2,5-oxadiazole-3-carbohydrazide
8005-1737 Screening compound: 4-amino-N'-[(E)-[2-(trifluoromethyl)phenyl]methylidene]-1,2,5-oxadiazole-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-1737
4-amino-N'-[(E)-[2-(trifluoromethyl)phenyl]methylidene]-1,2,5-oxadiazole-3-carbohydrazide

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

8005-1737

Molecular Formula

C11H8F3N5O2 (C11 H8 F3 N5 O2)

Compound Name

4-amino-N'-[(E)-[2-(trifluoromethyl)phenyl]methylidene]-1,2,5-oxadiazole-3-carbohydrazide

IUPAC name

4-amino-N'-[(E)-[2-(trifluoromethyl)phenyl]methylidene]-125-oxadiazole-3-carbohydrazide

SMILES

Nc1nonc1C(N/N=C/c1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C11H8F3N5O2/c12-11(13,14)7-4-2-1-3-6(7)5-16-17-10(20)8-9(15)19-21-18-8/h1-5H,(H2,15,19)(H,17,20)

InChI Key

GXHAOTDWVKAVEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00605783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.437

Distribution Coefficient, logD

2.434

Water Solubility, LogSw

-2.92

Polar Surface Area

92.639

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8005-1737 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8005-1737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-1737?
Check Price and Availability of 8005-1737, 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 8005-1737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-1737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-1737
  • 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 8005-1737 available by request