G726-1070 Screening compound: ethyl 2,4-dimethyl-5-(2-{[2-(trifluoromethyl)phenyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate

G726-1070 Screening compound: ethyl 2,4-dimethyl-5-(2-{[2-(trifluoromethyl)phenyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate
G726-1070 Screening compound: ethyl 2,4-dimethyl-5-(2-{[2-(trifluoromethyl)phenyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G726-1070
ethyl 2,4-dimethyl-5-(2-{[2-(trifluoromethyl)phenyl]carbamoyl}ethyl)-1H-pyrrole-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

G726-1070

Molecular Formula

C19H21F3N2O3 (C19 H21 F3 N2 O3)

Compound Name

ethyl 2,4-dimethyl-5-(2-{[2-(trifluoromethyl)phenyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 24-dimethyl-5-(2-{[2-(trifluoromethyl)phenyl]carbamoyl}ethyl)-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(CCC(Nc2c(C(F)(F)F)cccc2)=O)c1C)=O

InChI

InChI=1S/C19H21F3N2O3/c1-4-27-18(26)17-11(2)14(23-12(17)3)9-10-16(25)24-15-8-6-5-7-13(15)19(20,21)22/h5-8,23H,4,9-10H2,1-3H3,(H,24,25)

InChI Key

DNGUBVKGDPDYLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27154308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.448

Water Solubility, LogSw

-3.77

Polar Surface Area

54.649

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

G726-1070 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G726-1070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G726-1070?
Check Price and Availability of G726-1070, 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 G726-1070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G726-1070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G726-1070
  • 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 G726-1070 available by request