P076-0607 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

P076-0607 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
P076-0607 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P076-0607
N-(2H-1,3-benzodioxol-5-yl)-1-[(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

P076-0607

Molecular Formula

C25H21N3O3 (C25 H21 N3 O3)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide

SMILES

Cc1c(Cn2c(C(Nc(cc3)cc4c3OCO4)=O)cc(-c3ccncc3)c2)cccc1

InChI

InChI=1S/C25H21N3O3/c1-17-4-2-3-5-19(17)14-28-15-20(18-8-10-26-11-9-18)12-22(28)25(29)27-21-6-7-23-24(13-21)31-16-30-23/h2-13,15H,14,16H2,1H3,(H,27,29)

InChI Key

QVFRSRNAFVEADK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27562936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.044

Distribution Coefficient, logD

5.039

Water Solubility, LogSw

-4.51

Polar Surface Area

51.084

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

P076-0607 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)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P076-0607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P076-0607?
Check Price and Availability of P076-0607, 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 P076-0607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P076-0607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P076-0607
  • 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 P076-0607 available by request