P076-0625 Screening compound: 1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-N-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide

P076-0625 Screening compound: 1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-N-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide
P076-0625 Screening compound: 1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-N-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-0625
1-[(2-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

P076-0625

Molecular Formula

C23H21N3OS (C23 H21 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cn2c(C(NCc3cccs3)=O)cc(-c3ccncc3)c2)cccc1

InChI

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

InChI Key

GTRZHFBHCUMGLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27562948

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

4.930

Distribution Coefficient, logD

4.925

Water Solubility, LogSw

-4.50

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

P076-0625 in Drug Discovery

Included in Screening Libraries

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 P076-0625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-0625?
Check Price and Availability of P076-0625, 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 P076-0625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-0625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-0625
  • 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 P076-0625 available by request