C879-0934 Screening compound: 4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

C879-0934 Screening compound: 4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
C879-0934 Screening compound: 4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C879-0934
4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

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

C879-0934

Molecular Formula

C25H29FN2O3 (C25 H29 FN2 O3)

Compound Name

4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

IUPAC name

4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-25-dimethyl-1H-pyrrole-3-carboxylic acid

SMILES

CCOc1ccc(CCNCc2c(C)n(Cc(cccc3)c3F)c(C)c2C(O)=O)cc1

InChI

InChI=1S/C25H29FN2O3/c1-4-31-21-11-9-19(10-12-21)13-14-27-15-22-17(2)28(18(3)24(22)25(29)30)16-20-7-5-6-8-23(20)26/h5-12,27H,4,13-16H2,1-3H3,(H,29,30)

InChI Key

BKKUFUZDFZOAOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14803283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-4.20

Polar Surface Area

49.075

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

12.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C879-0934 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C879-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C879-0934?
Check Price and Availability of C879-0934, 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 C879-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C879-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C879-0934
  • 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 C879-0934 available by request