E014-0069 Screening compound: 4,6-dimethyl-N-[(pyridin-2-yl)methyl]-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide

E014-0069 Screening compound: 4,6-dimethyl-N-[(pyridin-2-yl)methyl]-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
E014-0069 Screening compound: 4,6-dimethyl-N-[(pyridin-2-yl)methyl]-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E014-0069
4,6-dimethyl-N-[(pyridin-2-yl)methyl]-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

E014-0069

Molecular Formula

C20H18N4OS (C20 H18 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(c(-n2cccc2)c(C(NCc2ncccc2)=O)s2)c2nc(C)c1

InChI

InChI=1S/C20H18N4OS/c1-13-11-14(2)23-20-16(13)17(24-9-5-6-10-24)18(26-20)19(25)22-12-15-7-3-4-8-21-15/h3-11H,12H2,1-2H3,(H,22,25)

InChI Key

PPTFESKHPRFURO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10269146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.728

Distribution Coefficient, logD

3.719

Water Solubility, LogSw

-4.09

Polar Surface Area

47.106

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E014-0069 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with E014-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E014-0069?
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What is the minimum amount of E014-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E014-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E014-0069
  • 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 E014-0069 available by request