F872-0071 Screening compound: methyl 3-{[(2-{3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}ethyl)carbamoyl]amino}benzoate

F872-0071 Screening compound: methyl 3-{[(2-{3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}ethyl)carbamoyl]amino}benzoate
F872-0071 Screening compound: methyl 3-{[(2-{3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}ethyl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F872-0071
methyl 3-{[(2-{3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}ethyl)carbamoyl]amino}benzoate

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

F872-0071

Molecular Formula

C24H23N5O3 (C24 H23 N5 O3)

Compound Name

methyl 3-{[(2-{3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}ethyl)carbamoyl]amino}benzoate

IUPAC name

methyl 3-{[(2-{3-benzyl-3H-imidazo[45-b]pyridin-2-yl}ethyl)carbamoyl]amino}benzoate

SMILES

COC(c1cccc(NC(NCCc(n2Cc3ccccc3)nc3c2nccc3)=O)c1)=O

InChI

InChI=1S/C24H23N5O3/c1-32-23(30)18-9-5-10-19(15-18)27-24(31)26-14-12-21-28-20-11-6-13-25-22(20)29(21)16-17-7-3-2-4-8-17/h2-11,13,15H,12,14,16H2,1H3,(H2,26,27,31)

InChI Key

KYZYTQOYYJAKKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14969528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-4.05

Polar Surface Area

75.690

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F872-0071 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

SH2 Library (10483 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Endocrine
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F872-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F872-0071?
Check Price and Availability of F872-0071, 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 F872-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F872-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F872-0071
  • 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 F872-0071 available by request