P077-0453 Screening compound: 3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-methylphenyl)urea

P077-0453 Screening compound: 3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-methylphenyl)urea
P077-0453 Screening compound: 3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P077-0453
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-methylphenyl)urea

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

P077-0453

Molecular Formula

C21H17FN4O (C21 H17 FN4 O)

Compound Name

3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-methylphenyl)urea

IUPAC name

3-[2-(4-fluorophenyl)imidazo[12-a]pyridin-3-yl]-1-(3-methylphenyl)urea

SMILES

Cc1cccc(NC(Nc2c(-c(cc3)ccc3F)nc3n2cccc3)=O)c1

InChI

InChI=1S/C21H17FN4O/c1-14-5-4-6-17(13-14)23-21(27)25-20-19(15-8-10-16(22)11-9-15)24-18-7-2-3-12-26(18)20/h2-13H,1H3,(H2,23,25,27)

InChI Key

VQQXWAZXCYGFNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.725

Distribution Coefficient, logD

4.725

Water Solubility, LogSw

-4.56

Polar Surface Area

41.069

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

P077-0453 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P077-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P077-0453?
Check Price and Availability of P077-0453, 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 P077-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P077-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P077-0453
  • 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 P077-0453 available by request