P117-0851 Screening compound: 2-[6-(azepan-1-yl)-1H-pyrrolo[2,3-b]pyridin-1-yl]-N-cyclohexylacetamide

P117-0851 Screening compound: 2-[6-(azepan-1-yl)-1H-pyrrolo[2,3-b]pyridin-1-yl]-N-cyclohexylacetamide
P117-0851 Screening compound: 2-[6-(azepan-1-yl)-1H-pyrrolo[2,3-b]pyridin-1-yl]-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P117-0851
2-[6-(azepan-1-yl)-1H-pyrrolo[2,3-b]pyridin-1-yl]-N-cyclohexylacetamide

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

P117-0851

Molecular Formula

C21H30N4O (C21 H30 N4 O)

Compound Name

2-[6-(azepan-1-yl)-1H-pyrrolo[2,3-b]pyridin-1-yl]-N-cyclohexylacetamide

IUPAC name

2-[6-(azepan-1-yl)-1H-pyrrolo[23-b]pyridin-1-yl]-N-cyclohexylacetamide

SMILES

O=C(Cn1c2nc(N3CCCCCC3)ccc2cc1)NC1CCCCC1

InChI

InChI=1S/C21H30N4O/c26-20(22-18-8-4-3-5-9-18)16-25-15-12-17-10-11-19(23-21(17)25)24-13-6-1-2-7-14-24/h10-12,15,18H,1-9,13-14,16H2,(H,22,26)

InChI Key

PGLUKRSRHCHZQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.5

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

4.683

Distribution Coefficient, logD

4.670

Water Solubility, LogSw

-4.76

Polar Surface Area

38.996

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

P117-0851 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

STING Agonist Library (5895 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P117-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P117-0851?
Check Price and Availability of P117-0851, 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 P117-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P117-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P117-0851
  • 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 P117-0851 available by request