P076-1218 Screening compound: 1-ethyl-N-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

P076-1218 Screening compound: 1-ethyl-N-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
P076-1218 Screening compound: 1-ethyl-N-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-1218
1-ethyl-N-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-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

P076-1218

Molecular Formula

C20H21N3O (C20 H21 N3 O)

Compound Name

1-ethyl-N-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

IUPAC name

1-ethyl-N-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

SMILES

CCn1c(C(NCc2c(C)cccc2)=O)cc(-c2ccncc2)c1

InChI

InChI=1S/C20H21N3O/c1-3-23-14-18(16-8-10-21-11-9-16)12-19(23)20(24)22-13-17-7-5-4-6-15(17)2/h4-12,14H,3,13H2,1-2H3,(H,22,24)

InChI Key

OTTSQNFUADZVCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.41

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

3.835

Distribution Coefficient, logD

3.830

Water Solubility, LogSw

-3.75

Polar Surface Area

35.287

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

P076-1218 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P076-1218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-1218?
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What is the minimum amount of P076-1218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-1218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-1218
  • 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 P076-1218 available by request