E643-0104 Screening compound: N-cyclopentyl-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}butanamide

E643-0104 Screening compound: N-cyclopentyl-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}butanamide
E643-0104 Screening compound: N-cyclopentyl-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0104
N-cyclopentyl-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}butanamide

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

E643-0104

Molecular Formula

C15H20N4OS (C15 H20 N4 OS)

Compound Name

N-cyclopentyl-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}butanamide

IUPAC name

N-cyclopentyl-2-{3H-imidazo[45-b]pyridin-2-ylsulfanyl}butanamide

SMILES

CCC(C(NC1CCCC1)=O)Sc([nH]1)nc2c1nccc2

InChI

InChI=1S/C15H20N4OS/c1-2-12(14(20)17-10-6-3-4-7-10)21-15-18-11-8-5-9-16-13(11)19-15/h5,8-10,12H,2-4,6-7H2,1H3,(H,17,20)(H,16,18,19)/t12-/m0/s1

InChI Key

HDXWPESWTBSMDR-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14906923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.653

Distribution Coefficient, logD

2.647

Water Solubility, LogSw

-2.81

Polar Surface Area

53.130

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

E643-0104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Purinergic Library (3321 compounds)

Soluble Diversity Library (15920 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Proteases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E643-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-0104?
Check Price and Availability of E643-0104, 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 E643-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0104
  • 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 E643-0104 available by request