E014-0157 Screening compound: 4,6-dimethyl-N-(2-phenylpropyl)-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide

E014-0157 Screening compound: 4,6-dimethyl-N-(2-phenylpropyl)-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
E014-0157 Screening compound: 4,6-dimethyl-N-(2-phenylpropyl)-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E014-0157
4,6-dimethyl-N-(2-phenylpropyl)-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide

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

E014-0157

Molecular Formula

C23H23N3OS (C23 H23 N3 OS)

Compound Name

4,6-dimethyl-N-(2-phenylpropyl)-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide

IUPAC name

46-dimethyl-N-(2-phenylpropyl)-3-(1H-pyrrol-1-yl)thieno[23-b]pyridine-2-carboxamide

SMILES

CC(CNC(c(sc1nc(C)cc(C)c11)c1-n1cccc1)=O)c1ccccc1

InChI

InChI=1S/C23H23N3OS/c1-15-13-17(3)25-23-19(15)20(26-11-7-8-12-26)21(28-23)22(27)24-14-16(2)18-9-5-4-6-10-18/h4-13,16H,14H2,1-3H3,(H,24,27)/t16-/m0/s1

InChI Key

LZTIDSUVHADNFN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14838022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.577

Distribution Coefficient, logD

5.568

Water Solubility, LogSw

-5.69

Polar Surface Area

37.563

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

E014-0157 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E014-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E014-0157?
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What is the minimum amount of E014-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E014-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E014-0157
  • 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 E014-0157 available by request