8015-0779 Screening compound: 2-[benzyl-2-nitro-4-(trifluoromethyl)anilino]ethyl benzoate

8015-0779 Screening compound: 2-[benzyl-2-nitro-4-(trifluoromethyl)anilino]ethyl benzoate
8015-0779 Screening compound: 2-[benzyl-2-nitro-4-(trifluoromethyl)anilino]ethyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0779
2-[benzyl-2-nitro-4-(trifluoromethyl)anilino]ethyl benzoate

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

8015-0779

Molecular Formula

C23H19F3N2O4 (C23 H19 F3 N2 O4)

Compound Name

2-[benzyl-2-nitro-4-(trifluoromethyl)anilino]ethyl benzoate

IUPAC name

2-{benzyl[2-nitro-4-(trifluoromethyl)phenyl]amino}ethyl benzoate

SMILES

[O-][N+](c(cc(C(F)(F)F)cc1)c1N(CCOC(c1ccccc1)=O)Cc1ccccc1)=O

InChI

InChI=1S/C23H19F3N2O4/c24-23(25,26)19-11-12-20(21(15-19)28(30)31)27(16-17-7-3-1-4-8-17)13-14-32-22(29)18-9-5-2-6-10-18/h1-12,15H,13-14,16H2

InChI Key

SDNPETXCBDVCKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.971

Distribution Coefficient, logD

5.971

Water Solubility, LogSw

-6.22

Polar Surface Area

56.788

Acid Dissociation Constant (pKa)

27.03

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.39

References: we are preparing a list of scientific research reports with 8015-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0779?
Check Price and Availability of 8015-0779, 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 8015-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0779
  • 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 8015-0779 available by request