P076-0268 Screening compound: 1-methyl-4-(pyridin-4-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide

P076-0268 Screening compound: 1-methyl-4-(pyridin-4-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide
P076-0268 Screening compound: 1-methyl-4-(pyridin-4-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-0268
1-methyl-4-(pyridin-4-yl)-N-{[2-(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

P076-0268

Molecular Formula

C19H16F3N3O (C19 H16 F3 N3 O)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(C(NCc2c(C(F)(F)F)cccc2)=O)cc(-c2ccncc2)c1

InChI

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

InChI Key

SUCXBDVCDSJYLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27562856

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

3.684

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-3.88

Polar Surface Area

36.118

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

P076-0268 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P076-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-0268?
Check Price and Availability of P076-0268, 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 P076-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-0268
  • 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 P076-0268 available by request