P076-1362 Screening compound: N-(1-phenylethyl)-1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

P076-1362 Screening compound: N-(1-phenylethyl)-1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
P076-1362 Screening compound: N-(1-phenylethyl)-1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-1362
N-(1-phenylethyl)-1-propyl-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

P076-1362

Molecular Formula

C21H23N3O (C21 H23 N3 O)

Compound Name

N-(1-phenylethyl)-1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

IUPAC name

N-(1-phenylethyl)-1-propyl-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

SMILES

CCCn1c(C(NC(C)c2ccccc2)=O)cc(-c2ccncc2)c1

InChI

InChI=1S/C21H23N3O/c1-3-13-24-15-19(18-9-11-22-12-10-18)14-20(24)21(25)23-16(2)17-7-5-4-6-8-17/h4-12,14-16H,3,13H2,1-2H3,(H,23,25)/t16-/m0/s1

InChI Key

BNUJJDHQRNPFKT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27563045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.676

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-3.64

Polar Surface Area

34.704

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

P076-1362 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with P076-1362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-1362?
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What is the minimum amount of P076-1362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-1362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-1362
  • 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 P076-1362 available by request