E643-0450 Screening compound: ethyl 4-[2-(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)butanamido]benzoate

E643-0450 Screening compound: ethyl 4-[2-(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)butanamido]benzoate
E643-0450 Screening compound: ethyl 4-[2-(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)butanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0450
ethyl 4-[2-(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)butanamido]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

E643-0450

Molecular Formula

C27H28N4O3S (C27 H28 N4 O3 S)

Compound Name

ethyl 4-[2-(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)butanamido]benzoate

IUPAC name

ethyl 4-[2-(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[45-b]pyridin-3-yl)butanamido]benzoate

SMILES

CCC(C(Nc(cc1)ccc1C(OCC)=O)=O)n1c(SCc2ccc(C)cc2)nc2c1nccc2

InChI

InChI=1S/C27H28N4O3S/c1-4-23(25(32)29-21-14-12-20(13-15-21)26(33)34-5-2)31-24-22(7-6-16-28-24)30-27(31)35-17-19-10-8-18(3)9-11-19/h6-16,23H,4-5,17H2,1-3H3,(H,29,32)/t23-/m0/s1

InChI Key

CELCEKKJJJMAJR-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14907052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.593

Distribution Coefficient, logD

5.593

Water Solubility, LogSw

-5.30

Polar Surface Area

64.781

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

E643-0450 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E643-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-0450?
Check Price and Availability of E643-0450, 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 E643-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0450
  • 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 E643-0450 available by request