F113-0459 Screening compound: 1-(3-bromophenyl)-3-(2-{2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl}ethyl)urea

F113-0459 Screening compound: 1-(3-bromophenyl)-3-(2-{2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl}ethyl)urea
F113-0459 Screening compound: 1-(3-bromophenyl)-3-(2-{2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F113-0459
1-(3-bromophenyl)-3-(2-{2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl}ethyl)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

F113-0459

Molecular Formula

C21H18BrN5O (C21 H18 BrN5 O)

Compound Name

1-(3-bromophenyl)-3-(2-{2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl}ethyl)urea

IUPAC name

1-(3-bromophenyl)-3-(2-{2-phenyl-3H-imidazo[45-b]pyridin-3-yl}ethyl)urea

SMILES

O=C(NCCn1c(-c2ccccc2)nc2cccnc12)Nc1cccc(Br)c1

InChI

InChI=1S/C21H18BrN5O/c22-16-8-4-9-17(14-16)25-21(28)24-12-13-27-19(15-6-2-1-3-7-15)26-18-10-5-11-23-20(18)27/h1-11,14H,12-13H2,(H2,24,25,28)

InChI Key

OVLLDLLDGZPUDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.810

Distribution Coefficient, logD

4.810

Water Solubility, LogSw

-4.75

Polar Surface Area

53.519

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

F113-0459 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F113-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F113-0459?
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What is the minimum amount of F113-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F113-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F113-0459
  • 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 F113-0459 available by request