P101-0853 Screening compound: (5-benzyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)[4-(2-pyridyl)piperazino]methanone

P101-0853 Screening compound: (5-benzyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)[4-(2-pyridyl)piperazino]methanone
P101-0853 Screening compound: (5-benzyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)[4-(2-pyridyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P101-0853
(5-benzyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)[4-(2-pyridyl)piperazino]methanone

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

P101-0853

Molecular Formula

C25H29N5O (C25 H29 N5 O)

Compound Name

(5-benzyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)[4-(2-pyridyl)piperazino]methanone

IUPAC name

n/a

SMILES

Cn1c(C(N(CC2)CCN2c2ncccc2)=O)cc2c1CCN(Cc1ccccc1)C2

InChI

InChI=1S/C25H29N5O/c1-27-22-10-12-28(18-20-7-3-2-4-8-20)19-21(22)17-23(27)25(31)30-15-13-29(14-16-30)24-9-5-6-11-26-24/h2-9,11,17H,10,12-16,18-19H2,1H3

InChI Key

VNSNSLFYMVDBMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.147

Distribution Coefficient, logD

0.342

Water Solubility, LogSw

-3.21

Polar Surface Area

34.070

Acid Dissociation Constant (pKa)

24.77

Base Dissociation Constant (pKb)

10.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

P101-0853 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P101-0853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P101-0853?
Check Price and Availability of P101-0853, 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 P101-0853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P101-0853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P101-0853
  • 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 P101-0853 available by request