P114-1536 Screening compound: N-(4-fluorophenyl)-4-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,3,6-tetrahydropyridine-1-carboxamide

P114-1536 Screening compound: N-(4-fluorophenyl)-4-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,3,6-tetrahydropyridine-1-carboxamide
P114-1536 Screening compound: N-(4-fluorophenyl)-4-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,3,6-tetrahydropyridine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P114-1536
N-(4-fluorophenyl)-4-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,3,6-tetrahydropyridine-1-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

P114-1536

Molecular Formula

C22H23FN4O (C22 H23 FN4 O)

Compound Name

N-(4-fluorophenyl)-4-[1-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,3,6-tetrahydropyridine-1-carboxamide

IUPAC name

N-(4-fluorophenyl)-4-[1-(propan-2-yl)-1H-pyrrolo[23-b]pyridin-3-yl]-1236-tetrahydropyridine-1-carboxamide

SMILES

CC(C)n1c(nccc2)c2c(C(CC2)=CCN2C(Nc(cc2)ccc2F)=O)c1

InChI

InChI=1S/C22H23FN4O/c1-15(2)27-14-20(19-4-3-11-24-21(19)27)16-9-12-26(13-10-16)22(28)25-18-7-5-17(23)6-8-18/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,25,28)

InChI Key

PQYRKCIPWGQSQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

4.078

Water Solubility, LogSw

-4.00

Polar Surface Area

38.138

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

P114-1536 in Drug Discovery

Included in Screening Libraries

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
  • 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 P114-1536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P114-1536?
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What is the minimum amount of P114-1536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P114-1536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P114-1536
  • 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 P114-1536 available by request