1499-0433 Screening compound: N-ethyl-3-nitro-4-trifluoromethanesulfonylaniline

1499-0433 Screening compound: N-ethyl-3-nitro-4-trifluoromethanesulfonylaniline
1499-0433 Screening compound: N-ethyl-3-nitro-4-trifluoromethanesulfonylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1499-0433
N-ethyl-3-nitro-4-trifluoromethanesulfonylaniline

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

1499-0433

Molecular Formula

C9H9F3N2O4S (C9 H9 F3 N2 O4 S)

Compound Name

N-ethyl-3-nitro-4-trifluoromethanesulfonylaniline

IUPAC name

N-ethyl-3-nitro-4-trifluoromethanesulfonylaniline

SMILES

CCNc(cc1)cc([N+]([O-])=O)c1S(C(F)(F)F)(=O)=O

InChI

InChI=1S/C9H9F3N2O4S/c1-2-13-6-3-4-8(7(5-6)14(15)16)19(17,18)9(10,11)12/h3-5,13H,2H2,1H3

InChI Key

COSSKWQWOQLWOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.725

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-3.39

Polar Surface Area

73.223

Acid Dissociation Constant (pKa)

17.46

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1499-0433 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 1499-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1499-0433?
Check Price and Availability of 1499-0433, 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 1499-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1499-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1499-0433
  • 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 1499-0433 available by request