P101-0851 Screening compound: 5-BENZYL-N-(3,4-DIMETHOXYBENZYL)-1-METHYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXAMIDE

P101-0851 Screening compound: 5-BENZYL-N-(3,4-DIMETHOXYBENZYL)-1-METHYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXAMIDE
P101-0851 Screening compound: 5-BENZYL-N-(3,4-DIMETHOXYBENZYL)-1-METHYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P101-0851
5-BENZYL-N-(3,4-DIMETHOXYBENZYL)-1-METHYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-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

P101-0851

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

5-BENZYL-N-(3,4-DIMETHOXYBENZYL)-1-METHYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cn1c(C(NCc(cc2)cc(OC)c2OC)=O)cc2c1CCN(Cc1ccccc1)C2

InChI

InChI=1S/C25H29N3O3/c1-27-21-11-12-28(16-18-7-5-4-6-8-18)17-20(21)14-22(27)25(29)26-15-19-9-10-23(30-2)24(13-19)31-3/h4-10,13-14H,11-12,15-17H2,1-3H3,(H,26,29)

InChI Key

RVAPCVWHOCTIDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.943

Distribution Coefficient, logD

0.137

Water Solubility, LogSw

-3.37

Polar Surface Area

45.324

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

10.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.00

P101-0851 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P101-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P101-0851?
Check Price and Availability of P101-0851, 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 P101-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P101-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P101-0851
  • 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 P101-0851 available by request