8013-8718 Screening compound: acetone O~2~-[2-nitro-4-(trifluoromethyl)phenyl]oxime

8013-8718 Screening compound: acetone O~2~-[2-nitro-4-(trifluoromethyl)phenyl]oxime
8013-8718 Screening compound: acetone O~2~-[2-nitro-4-(trifluoromethyl)phenyl]oxime alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-8718
acetone O~2~-[2-nitro-4-(trifluoromethyl)phenyl]oxime

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

8013-8718

Molecular Formula

C10H9F3N2O3 (C10 H9 F3 N2 O3)

Compound Name

acetone O~2~-[2-nitro-4-(trifluoromethyl)phenyl]oxime

IUPAC name

[2-nitro-4-(trifluoromethyl)phenoxy](propan-2-ylidene)amine

SMILES

CC(C)=NOc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O

InChI

InChI=1S/C10H9F3N2O3/c1-6(2)14-18-9-4-3-7(10(11,12)13)5-8(9)15(16)17/h3-5H,1-2H3

InChI Key

AVALCSOWLUWAPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03197146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.868

Distribution Coefficient, logD

2.868

Water Solubility, LogSw

-3.34

Polar Surface Area

51.126

Acid Dissociation Constant (pKa)

27.25

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8013-8718 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8013-8718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8718?
Check Price and Availability of 8013-8718, 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 8013-8718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8718
  • 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 8013-8718 available by request