F114-0445 Screening compound: N-(4-ethoxyphenyl)-4-[2-(methoxymethyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide

F114-0445 Screening compound: N-(4-ethoxyphenyl)-4-[2-(methoxymethyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
F114-0445 Screening compound: N-(4-ethoxyphenyl)-4-[2-(methoxymethyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F114-0445
N-(4-ethoxyphenyl)-4-[2-(methoxymethyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine-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

F114-0445

Molecular Formula

C22H27N5O3 (C22 H27 N5 O3)

Compound Name

N-(4-ethoxyphenyl)-4-[2-(methoxymethyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide

IUPAC name

N-(4-ethoxyphenyl)-4-[2-(methoxymethyl)-3H-imidazo[45-b]pyridin-3-yl]piperidine-1-carboxamide

SMILES

CCOc(cc1)ccc1NC(N(CC1)CCC1n1c2ncccc2nc1COC)=O

InChI

InChI=1S/C22H27N5O3/c1-3-30-18-8-6-16(7-9-18)24-22(28)26-13-10-17(11-14-26)27-20(15-29-2)25-19-5-4-12-23-21(19)27/h4-9,12,17H,3,10-11,13-15H2,1-2H3,(H,24,28)

InChI Key

UYAQJIBYOJOVED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14941765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.747

Distribution Coefficient, logD

2.747

Water Solubility, LogSw

-3.10

Polar Surface Area

62.451

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

F114-0445 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F114-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F114-0445?
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What is the minimum amount of F114-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F114-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F114-0445
  • 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 F114-0445 available by request