Y041-2009 Screening compound: ethyl 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate

Y041-2009 Screening compound: ethyl 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate
Y041-2009 Screening compound: ethyl 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2009
ethyl 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate

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

Y041-2009

Molecular Formula

C24H15F3N2O8 (C24 H15 F3 N2 O8)

Compound Name

ethyl 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-[26-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)oc(cc2)c1cc2Oc(c([N+]([O-])=O)cc(C(F)(F)F)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C24H15F3N2O8/c1-2-35-23(30)20-16-12-15(8-9-19(16)37-21(20)13-6-4-3-5-7-13)36-22-17(28(31)32)10-14(24(25,26)27)11-18(22)29(33)34/h3-12H,2H2,1H3

InChI Key

DNLQHQPWCLPPGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01035945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.39

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.212

Distribution Coefficient, logD

6.212

Water Solubility, LogSw

-5.71

Polar Surface Area

102.329

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with Y041-2009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2009?
Check Price and Availability of Y041-2009, 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 Y041-2009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2009
  • 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 Y041-2009 available by request