P076-0799 Screening compound: 1-[(4-methylphenyl)methyl]-4-(pyridin-4-yl)-N-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide

P076-0799 Screening compound: 1-[(4-methylphenyl)methyl]-4-(pyridin-4-yl)-N-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide
P076-0799 Screening compound: 1-[(4-methylphenyl)methyl]-4-(pyridin-4-yl)-N-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-0799
1-[(4-methylphenyl)methyl]-4-(pyridin-4-yl)-N-[(thiophen-2-yl)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

P076-0799

Molecular Formula

C23H21N3OS (C23 H21 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cn2c(C(NCc3cccs3)=O)cc(-c3ccncc3)c2)cc1

InChI

InChI=1S/C23H21N3OS/c1-17-4-6-18(7-5-17)15-26-16-20(19-8-10-24-11-9-19)13-22(26)23(27)25-14-21-3-2-12-28-21/h2-13,16H,14-15H2,1H3,(H,25,27)

InChI Key

FMUFIPTWEAVULC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27562988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.51

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

4.570

Distribution Coefficient, logD

4.565

Water Solubility, LogSw

-4.22

Polar Surface Area

36.309

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

P076-0799 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 P076-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-0799?
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What is the minimum amount of P076-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-0799
  • 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 P076-0799 available by request