P076-0269 Screening compound: 1-methyl-4-(pyridin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide

P076-0269 Screening compound: 1-methyl-4-(pyridin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide
P076-0269 Screening compound: 1-methyl-4-(pyridin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-0269
1-methyl-4-(pyridin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide

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

P076-0269

Molecular Formula

C19H16F3N3O (C19 H16 F3 N3 O)

Compound Name

1-methyl-4-(pyridin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide

IUPAC name

1-methyl-4-(pyridin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide

SMILES

Cn1c(C(NCc2cccc(C(F)(F)F)c2)=O)cc(-c2ccncc2)c1

InChI

InChI=1S/C19H16F3N3O/c1-25-12-15(14-5-7-23-8-6-14)10-17(25)18(26)24-11-13-3-2-4-16(9-13)19(20,21)22/h2-10,12H,11H2,1H3,(H,24,26)

InChI Key

ZTSLGVCJXGFMRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27562857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.432

Distribution Coefficient, logD

3.428

Water Solubility, LogSw

-3.59

Polar Surface Area

36.118

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

P076-0269 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P076-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-0269?
Check Price and Availability of P076-0269, 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 P076-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-0269
  • 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 P076-0269 available by request