P072-1455 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(4-fluorophenyl)-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl]acetamide

P072-1455 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(4-fluorophenyl)-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl]acetamide
P072-1455 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(4-fluorophenyl)-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P072-1455
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(4-fluorophenyl)-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl]acetamide

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

P072-1455

Molecular Formula

C22H17FN4O4 (C22 H17 FN4 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(4-fluorophenyl)-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[3-(4-fluorophenyl)-2-oxo-1H2H3H-imidazo[45-b]pyridin-1-yl]acetamide

SMILES

O=C(CN(c1cccnc1N1c(cc2)ccc2F)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H17FN4O4/c23-15-4-6-16(7-5-15)27-21-17(2-1-9-24-21)26(22(27)29)12-20(28)25-11-14-3-8-18-19(10-14)31-13-30-18/h1-10H,11-13H2,(H,25,28)

InChI Key

SYNDSRHCDAJWRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27562205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.884

Distribution Coefficient, logD

2.884

Water Solubility, LogSw

-3.36

Polar Surface Area

69.155

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

P072-1455 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P072-1455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P072-1455?
Check Price and Availability of P072-1455, 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 P072-1455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P072-1455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P072-1455
  • 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 P072-1455 available by request