F113-0372 Screening compound: 1-(3-bromophenyl)-3-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea

F113-0372 Screening compound: 1-(3-bromophenyl)-3-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea
F113-0372 Screening compound: 1-(3-bromophenyl)-3-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F113-0372
1-(3-bromophenyl)-3-{2-[2-(trifluoromethyl)-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

F113-0372

Molecular Formula

C16H13BrF3N5O (C16 H13 BrF3 N5 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCCn1c2ncccc2nc1C(F)(F)F)Nc1cccc(Br)c1

InChI

InChI=1S/C16H13BrF3N5O/c17-10-3-1-4-11(9-10)23-15(26)22-7-8-25-13-12(5-2-6-21-13)24-14(25)16(18,19)20/h1-6,9H,7-8H2,(H2,22,23,26)

InChI Key

IEUMPMHEJAVYSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27642992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.21

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

3.875

Distribution Coefficient, logD

3.875

Water Solubility, LogSw

-4.03

Polar Surface Area

53.790

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

F113-0372 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Targeted Diversity Library (40567 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 F113-0372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F113-0372?
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What is the minimum amount of F113-0372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F113-0372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F113-0372
  • 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 F113-0372 available by request