E643-0117 Screening compound: 2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-1-(pyrrolidin-1-yl)butan-1-one

E643-0117 Screening compound: 2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-1-(pyrrolidin-1-yl)butan-1-one
E643-0117 Screening compound: 2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-1-(pyrrolidin-1-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0117
2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-1-(pyrrolidin-1-yl)butan-1-one

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

E643-0117

Molecular Formula

C14H18N4OS (C14 H18 N4 OS)

Compound Name

2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-1-(pyrrolidin-1-yl)butan-1-one

IUPAC name

2-{3H-imidazo[45-b]pyridin-2-ylsulfanyl}-1-(pyrrolidin-1-yl)butan-1-one

SMILES

CCC(C(N1CCCC1)=O)Sc([nH]1)nc2c1nccc2

InChI

InChI=1S/C14H18N4OS/c1-2-11(13(19)18-8-3-4-9-18)20-14-16-10-6-5-7-15-12(10)17-14/h5-7,11H,2-4,8-9H2,1H3,(H,15,16,17)

InChI Key

DNCWAXMKVVJJPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.126

Distribution Coefficient, logD

2.120

Water Solubility, LogSw

-2.47

Polar Surface Area

45.640

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E643-0117 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Purinergic Library (3321 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E643-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-0117?
Check Price and Availability of E643-0117, 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 E643-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0117
  • 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 E643-0117 available by request