Y502-4627 Screening compound: 3-[3-nitro-5-(2,2,2-trifluoroethoxy)anilino]-1(3H)-isobenzofuranone

Y502-4627 Screening compound: 3-[3-nitro-5-(2,2,2-trifluoroethoxy)anilino]-1(3H)-isobenzofuranone
Y502-4627 Screening compound: 3-[3-nitro-5-(2,2,2-trifluoroethoxy)anilino]-1(3H)-isobenzofuranone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-4627
3-[3-nitro-5-(2,2,2-trifluoroethoxy)anilino]-1(3H)-isobenzofuranone

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

Y502-4627

Molecular Formula

C16H11F3N2O5 (C16 H11 F3 N2 O5)

Compound Name

3-[3-nitro-5-(2,2,2-trifluoroethoxy)anilino]-1(3H)-isobenzofuranone

IUPAC name

3-{[3-nitro-5-(222-trifluoroethoxy)phenyl]amino}-13-dihydro-2-benzofuran-1-one

SMILES

[O-][N+](c1cc(NC(c2c3cccc2)OC3=O)cc(OCC(F)(F)F)c1)=O

InChI

InChI=1S/C16H11F3N2O5/c17-16(18,19)8-25-11-6-9(5-10(7-11)21(23)24)20-14-12-3-1-2-4-13(12)15(22)26-14/h1-7,14,20H,8H2/t14-/m0/s1

InChI Key

MLLYFBGSBZJLJF-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.683

Distribution Coefficient, logD

3.683

Water Solubility, LogSw

-4.16

Polar Surface Area

73.328

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.75

References: we are preparing a list of scientific research reports with Y502-4627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-4627?
Check Price and Availability of Y502-4627, 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 Y502-4627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-4627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-4627
  • 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 Y502-4627 available by request