L680-0447 Screening compound: 2,3-dihydro-1H-inden-5-yl (4-{[3-(3-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}tetrahydro-1-pyrazinyl) sulfone

L680-0447 Screening compound: 2,3-dihydro-1H-inden-5-yl (4-{[3-(3-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}tetrahydro-1-pyrazinyl) sulfone
L680-0447 Screening compound: 2,3-dihydro-1H-inden-5-yl (4-{[3-(3-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}tetrahydro-1-pyrazinyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound L680-0447
2,3-dihydro-1H-inden-5-yl (4-{[3-(3-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}tetrahydro-1-pyrazinyl) sulfone

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

L680-0447

Molecular Formula

C26H26FN5O2S (C26 H26 FN5 O2 S)

Compound Name

2,3-dihydro-1H-inden-5-yl (4-{[3-(3-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}tetrahydro-1-pyrazinyl) sulfone

IUPAC name

n/a

SMILES

O=S(c1cc(CCC2)c2cc1)(N1CCN(Cc(n2-c3cc(F)ccc3)nc3c2nccc3)CC1)=O

InChI

InChI=1S/C26H26FN5O2S/c27-21-6-2-7-22(17-21)32-25(29-24-8-3-11-28-26(24)32)18-30-12-14-31(15-13-30)35(33,34)23-10-9-19-4-1-5-20(19)16-23/h2-3,6-11,16-17H,1,4-5,12-15,18H2

InChI Key

ALXWWILAJOQTHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15133285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-4.04

Polar Surface Area

57.331

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

L680-0447 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L680-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L680-0447?
Check Price and Availability of L680-0447, 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 L680-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L680-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L680-0447
  • 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 L680-0447 available by request