F111-0729 Screening compound: N-{2-[2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}cyclohexanecarboxamide

F111-0729 Screening compound: N-{2-[2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}cyclohexanecarboxamide
F111-0729 Screening compound: N-{2-[2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F111-0729
N-{2-[2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}cyclohexanecarboxamide

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

F111-0729

Molecular Formula

C23H28N4O (C23 H28 N4 O)

Compound Name

N-{2-[2-(2-phenylethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}cyclohexanecarboxamide

IUPAC name

N-{2-[2-(2-phenylethyl)-3H-imidazo[45-b]pyridin-3-yl]ethyl}cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)NCCn1c2ncccc2nc1CCc1ccccc1

InChI

InChI=1S/C23H28N4O/c28-23(19-10-5-2-6-11-19)25-16-17-27-21(14-13-18-8-3-1-4-9-18)26-20-12-7-15-24-22(20)27/h1,3-4,7-9,12,15,19H,2,5-6,10-11,13-14,16-17H2,(H,25,28)

InChI Key

BUPZEVZZFKRAFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

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

4.269

Distribution Coefficient, logD

4.269

Water Solubility, LogSw

-4.20

Polar Surface Area

45.475

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

F111-0729 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F111-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F111-0729?
Check Price and Availability of F111-0729, 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 F111-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F111-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F111-0729
  • 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 F111-0729 available by request