F111-0464 Screening compound: 3-phenyl-N-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}propanamide

F111-0464 Screening compound: 3-phenyl-N-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}propanamide
F111-0464 Screening compound: 3-phenyl-N-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F111-0464
3-phenyl-N-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}propanamide

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

F111-0464

Molecular Formula

C18H17F3N4O (C18 H17 F3 N4 O)

Compound Name

3-phenyl-N-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}propanamide

IUPAC name

3-phenyl-N-{2-[2-(trifluoromethyl)-3H-imidazo[45-b]pyridin-3-yl]ethyl}propanamide

SMILES

O=C(CCc1ccccc1)NCCn1c(nccc2)c2nc1C(F)(F)F

InChI

InChI=1S/C18H17F3N4O/c19-18(20,21)17-24-14-7-4-10-23-16(14)25(17)12-11-22-15(26)9-8-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,22,26)

InChI Key

WXXMBMQKYHDPRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27101895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.35

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

2.875

Distribution Coefficient, logD

2.875

Water Solubility, LogSw

-3.22

Polar Surface Area

44.365

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

F111-0464 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 F111-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F111-0464?
Check Price and Availability of F111-0464, 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 F111-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F111-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F111-0464
  • 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 F111-0464 available by request