L679-0468 Screening compound: methyl 3-[(4-{[3-(3,5-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate

L679-0468 Screening compound: methyl 3-[(4-{[3-(3,5-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate
L679-0468 Screening compound: methyl 3-[(4-{[3-(3,5-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L679-0468
methyl 3-[(4-{[3-(3,5-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carbonyl)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

L679-0468

Molecular Formula

C28H30N6O3 (C28 H30 N6 O3)

Compound Name

methyl 3-[(4-{[3-(3,5-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate

IUPAC name

methyl 3-[(4-{[3-(35-dimethylphenyl)-3H-imidazo[45-b]pyridin-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate

SMILES

Cc1cc(-n2c(nccc3)c3nc2CN(CC2)CCN2C(Nc2cc(C(OC)=O)ccc2)=O)cc(C)c1

InChI

InChI=1S/C28H30N6O3/c1-19-14-20(2)16-23(15-19)34-25(31-24-8-5-9-29-26(24)34)18-32-10-12-33(13-11-32)28(36)30-22-7-4-6-21(17-22)27(35)37-3/h4-9,14-17H,10-13,18H2,1-3H3,(H,30,36)

InChI Key

CYHNJKKJZMGYDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

4.154

Water Solubility, LogSw

-4.24

Polar Surface Area

71.977

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L679-0468 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

MCL1 Targeted Library (12200 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PI3K-Targeted Library (17255 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • GPCR
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with L679-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L679-0468?
Check Price and Availability of L679-0468, 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 L679-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L679-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L679-0468
  • 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 L679-0468 available by request