0199-0086 Screening compound: (2-nitro-5-trifluoromethanesulfonylphenyl)(phenyl)methanone

0199-0086 Screening compound: (2-nitro-5-trifluoromethanesulfonylphenyl)(phenyl)methanone
0199-0086 Screening compound: (2-nitro-5-trifluoromethanesulfonylphenyl)(phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 0199-0086
(2-nitro-5-trifluoromethanesulfonylphenyl)(phenyl)methanone

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

0199-0086

Molecular Formula

C14H8F3NO5S (C14 H8 F3 NO5 S)

Compound Name

(2-nitro-5-trifluoromethanesulfonylphenyl)(phenyl)methanone

IUPAC name

(2-nitro-5-trifluoromethanesulfonylphenyl)(phenyl)methanone

SMILES

[O-][N+](c(ccc(S(C(F)(F)F)(=O)=O)c1)c1C(c1ccccc1)=O)=O

InChI

InChI=1S/C14H8F3NO5S/c15-14(16,17)24(22,23)10-6-7-12(18(20)21)11(8-10)13(19)9-4-2-1-3-5-9/h1-8H

InChI Key

JEHFGRQGJFNXBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00386816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

3.620

Water Solubility, LogSw

-4.11

Polar Surface Area

76.558

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

0199-0086 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0199-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0199-0086?
Check Price and Availability of 0199-0086, 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 0199-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0199-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0199-0086
  • 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 0199-0086 available by request