1313-0505 Screening compound: N-ethyl-3-nitro-4-(trifluoromethyl)aniline

1313-0505 Screening compound: N-ethyl-3-nitro-4-(trifluoromethyl)aniline
1313-0505 Screening compound: N-ethyl-3-nitro-4-(trifluoromethyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1313-0505
N-ethyl-3-nitro-4-(trifluoromethyl)aniline

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

1313-0505

Molecular Formula

C9H9F3N2O2 (C9 H9 F3 N2 O2)

Compound Name

N-ethyl-3-nitro-4-(trifluoromethyl)aniline

IUPAC name

N-ethyl-3-nitro-4-(trifluoromethyl)aniline

SMILES

CCNc1cc([N+]([O-])=O)c(C(F)(F)F)cc1

InChI

InChI=1S/C9H9F3N2O2/c1-2-13-6-3-4-7(9(10,11)12)8(5-6)14(15)16/h3-5,13H,2H2,1H3

InChI Key

ZJHSGUPWDBURQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.595

Distribution Coefficient, logD

2.595

Water Solubility, LogSw

-3.16

Polar Surface Area

43.451

Acid Dissociation Constant (pKa)

19.33

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1313-0505 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 1313-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1313-0505?
Check Price and Availability of 1313-0505, 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 1313-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1313-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1313-0505
  • 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 1313-0505 available by request