F111-1047 Screening compound: 4-chloro-N-{2-[2-(4-pyridyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}benzamide

F111-1047 Screening compound: 4-chloro-N-{2-[2-(4-pyridyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}benzamide
F111-1047 Screening compound: 4-chloro-N-{2-[2-(4-pyridyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F111-1047
4-chloro-N-{2-[2-(4-pyridyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}benzamide

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

F111-1047

Molecular Formula

C20H16ClN5O (C20 H16 ClN5 O)

Compound Name

4-chloro-N-{2-[2-(4-pyridyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}benzamide

IUPAC name

4-chloro-N-{2-[2-(pyridin-4-yl)-3H-imidazo[45-b]pyridin-3-yl]ethyl}benzamide

SMILES

O=C(c(cc1)ccc1Cl)NCCn1c(-c2ccncc2)nc2cccnc12

InChI

InChI=1S/C20H16ClN5O/c21-16-5-3-15(4-6-16)20(27)24-12-13-26-18(14-7-10-22-11-8-14)25-17-2-1-9-23-19(17)26/h1-11H,12-13H2,(H,24,27)

InChI Key

BTAWIIMBXQYCDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27101955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.010

Distribution Coefficient, logD

3.009

Water Solubility, LogSw

-3.66

Polar Surface Area

53.735

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F111-1047 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F111-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F111-1047?
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What is the minimum amount of F111-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F111-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F111-1047
  • 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 F111-1047 available by request