F113-0680 Screening compound: 1-(3-chloro-4-methylphenyl)-3-{2-[2-(pyridin-4-yl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea

F113-0680 Screening compound: 1-(3-chloro-4-methylphenyl)-3-{2-[2-(pyridin-4-yl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea
F113-0680 Screening compound: 1-(3-chloro-4-methylphenyl)-3-{2-[2-(pyridin-4-yl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F113-0680
1-(3-chloro-4-methylphenyl)-3-{2-[2-(pyridin-4-yl)-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

F113-0680

Molecular Formula

C21H19ClN6O (C21 H19 ClN6 O)

Compound Name

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

IUPAC name

1-(3-chloro-4-methylphenyl)-3-{2-[2-(pyridin-4-yl)-3H-imidazo[45-b]pyridin-3-yl]ethyl}urea

SMILES

Cc(ccc(NC(NCCn1c(-c2ccncc2)nc2cccnc12)=O)c1)c1Cl

InChI

InChI=1S/C21H19ClN6O/c1-14-4-5-16(13-17(14)22)26-21(29)25-11-12-28-19(15-6-9-23-10-7-15)27-18-3-2-8-24-20(18)28/h2-10,13H,11-12H2,1H3,(H2,25,26,29)

InChI Key

AEZCVBDISSPMKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.248

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.50

Polar Surface Area

62.947

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F113-0680 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 F113-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F113-0680?
Check Price and Availability of F113-0680, 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 F113-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F113-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F113-0680
  • 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 F113-0680 available by request