P101-2052 Screening compound: 5-(3-fluorobenzyl)-1-methyl-N~2~-[2-(1-pyrrolidinyl)ethyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

P101-2052 Screening compound: 5-(3-fluorobenzyl)-1-methyl-N~2~-[2-(1-pyrrolidinyl)ethyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
P101-2052 Screening compound: 5-(3-fluorobenzyl)-1-methyl-N~2~-[2-(1-pyrrolidinyl)ethyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P101-2052
5-(3-fluorobenzyl)-1-methyl-N~2~-[2-(1-pyrrolidinyl)ethyl]-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

P101-2052

Molecular Formula

C22H29FN4O (C22 H29 FN4 O)

Compound Name

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

IUPAC name

5-[(3-fluorophenyl)methyl]-1-methyl-N-[2-(pyrrolidin-1-yl)ethyl]-1H4H5H6H7H-pyrrolo[32-c]pyridine-2-carboxamide

SMILES

Cn1c(C(NCCN2CCCC2)=O)cc2c1CCN(Cc1cccc(F)c1)C2

InChI

InChI=1S/C22H29FN4O/c1-25-20-7-11-27(15-17-5-4-6-19(23)13-17)16-18(20)14-21(25)22(28)24-8-12-26-9-2-3-10-26/h4-6,13-14H,2-3,7-12,15-16H2,1H3,(H,24,28)

InChI Key

ODFVGOGLZBTIFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.265

Distribution Coefficient, logD

-0.279

Water Solubility, LogSw

-2.87

Polar Surface Area

34.253

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P101-2052 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P101-2052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P101-2052?
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What is the minimum amount of P101-2052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P101-2052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P101-2052
  • 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 P101-2052 available by request