F235-1011 Screening compound: ethyl 1-(2,4-dinitrophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

F235-1011 Screening compound: ethyl 1-(2,4-dinitrophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
F235-1011 Screening compound: ethyl 1-(2,4-dinitrophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-1011
ethyl 1-(2,4-dinitrophenyl)-5-methyl-1H-1,2,3-triazole-4-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

F235-1011

Molecular Formula

C12H11N5O6 (C12 H11 N5 O6)

Compound Name

ethyl 1-(2,4-dinitrophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

IUPAC name

ethyl 1-(24-dinitrophenyl)-5-methyl-1H-123-triazole-4-carboxylate

SMILES

CCOC(c1c(C)n(-c(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)nn1)=O

InChI

InChI=1S/C12H11N5O6/c1-3-23-12(18)11-7(2)15(14-13-11)9-5-4-8(16(19)20)6-10(9)17(21)22/h4-6H,3H2,1-2H3

InChI Key

UZWRIBAWYHQMRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01451122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.25

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.648

Distribution Coefficient, logD

1.648

Water Solubility, LogSw

-2.11

Polar Surface Area

113.996

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F235-1011 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F235-1011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-1011?
Check Price and Availability of F235-1011, 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 F235-1011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-1011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-1011
  • 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 F235-1011 available by request