P073-0582 Screening compound: (2E)-N-(2-{1-[(4-fluorophenyl)methyl]-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-3-yl}ethyl)-3-(thiophen-2-yl)prop-2-enamide

P073-0582 Screening compound: (2E)-N-(2-{1-[(4-fluorophenyl)methyl]-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-3-yl}ethyl)-3-(thiophen-2-yl)prop-2-enamide
P073-0582 Screening compound: (2E)-N-(2-{1-[(4-fluorophenyl)methyl]-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-3-yl}ethyl)-3-(thiophen-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P073-0582
(2E)-N-(2-{1-[(4-fluorophenyl)methyl]-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-3-yl}ethyl)-3-(thiophen-2-yl)prop-2-enamide

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

P073-0582

Molecular Formula

C22H19FN4O2S (C22 H19 FN4 O2 S)

Compound Name

(2E)-N-(2-{1-[(4-fluorophenyl)methyl]-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-3-yl}ethyl)-3-(thiophen-2-yl)prop-2-enamide

IUPAC name

(2E)-N-(2-{1-[(4-fluorophenyl)methyl]-2-oxo-1H2H3H-imidazo[45-b]pyridin-3-yl}ethyl)-3-(thiophen-2-yl)prop-2-enamide

SMILES

O=C(/C=C/c1cccs1)NCCN(c1ncccc1N1Cc(cc2)ccc2F)C1=O

InChI

InChI=1S/C22H19FN4O2S/c23-17-7-5-16(6-8-17)15-27-19-4-1-11-25-21(19)26(22(27)29)13-12-24-20(28)10-9-18-3-2-14-30-18/h1-11,14H,12-13,15H2,(H,24,28)

InChI Key

ZUMRNYVXQXYRGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27562481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

3.850

Water Solubility, LogSw

-4.03

Polar Surface Area

53.489

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

P073-0582 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with P073-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of P073-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P073-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P073-0582
  • 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 P073-0582 available by request