P114-0107 Screening compound: 2-(2-fluorophenyl)-1-(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-one

P114-0107 Screening compound: 2-(2-fluorophenyl)-1-(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-one
P114-0107 Screening compound: 2-(2-fluorophenyl)-1-(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P114-0107
2-(2-fluorophenyl)-1-(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-one

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

P114-0107

Molecular Formula

C21H20FN3O (C21 H20 FN3 O)

Compound Name

2-(2-fluorophenyl)-1-(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-one

IUPAC name

2-(2-fluorophenyl)-1-(4-{1-methyl-1H-pyrrolo[23-b]pyridin-3-yl}-1236-tetrahydropyridin-1-yl)ethan-1-one

SMILES

Cn1c(nccc2)c2c(C(CC2)=CCN2C(Cc(cccc2)c2F)=O)c1

InChI

InChI=1S/C21H20FN3O/c1-24-14-18(17-6-4-10-23-21(17)24)15-8-11-25(12-9-15)20(26)13-16-5-2-3-7-19(16)22/h2-8,10,14H,9,11-13H2,1H3

InChI Key

PEWYUFXBOAQTNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.35

Polar Surface Area

28.554

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

P114-0107 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P114-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P114-0107?
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What is the minimum amount of P114-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P114-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P114-0107
  • 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 P114-0107 available by request