P101-2049 Screening compound: 5-(3-fluorobenzyl)-1-methyl-N~2~-(3-piperidinopropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

P101-2049 Screening compound: 5-(3-fluorobenzyl)-1-methyl-N~2~-(3-piperidinopropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
P101-2049 Screening compound: 5-(3-fluorobenzyl)-1-methyl-N~2~-(3-piperidinopropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P101-2049
5-(3-fluorobenzyl)-1-methyl-N~2~-(3-piperidinopropyl)-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

P101-2049

Molecular Formula

C24H33FN4O (C24 H33 FN4 O)

Compound Name

5-(3-fluorobenzyl)-1-methyl-N~2~-(3-piperidinopropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

IUPAC name

n/a

SMILES

Cn1c(C(NCCCN2CCCCC2)=O)cc2c1CCN(Cc1cccc(F)c1)C2

InChI

InChI=1S/C24H33FN4O/c1-27-22-9-14-29(17-19-7-5-8-21(25)15-19)18-20(22)16-23(27)24(30)26-10-6-13-28-11-3-2-4-12-28/h5,7-8,15-16H,2-4,6,9-14,17-18H2,1H3,(H,26,30)

InChI Key

QINUANMQAIPRPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

0.157

Water Solubility, LogSw

-3.00

Polar Surface Area

33.888

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

P101-2049 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 P101-2049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P101-2049?
Check Price and Availability of P101-2049, 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 P101-2049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P101-2049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P101-2049
  • 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 P101-2049 available by request