E014-0244 Screening compound: 4,6-dimethyl-3-(1H-pyrrol-1-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]thieno[2,3-b]pyridine-2-carboxamide

E014-0244 Screening compound: 4,6-dimethyl-3-(1H-pyrrol-1-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]thieno[2,3-b]pyridine-2-carboxamide
E014-0244 Screening compound: 4,6-dimethyl-3-(1H-pyrrol-1-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E014-0244
4,6-dimethyl-3-(1H-pyrrol-1-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]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

E014-0244

Molecular Formula

C26H28N4OS (C26 H28 N4 OS)

Compound Name

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

IUPAC name

46-dimethyl-3-(1H-pyrrol-1-yl)-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]thieno[23-b]pyridine-2-carboxamide

SMILES

Cc1c(c(-n2cccc2)c(C(NCCCN(CC2)Cc3c2cccc3)=O)s2)c2nc(C)c1

InChI

InChI=1S/C26H28N4OS/c1-18-16-19(2)28-26-22(18)23(30-13-5-6-14-30)24(32-26)25(31)27-11-7-12-29-15-10-20-8-3-4-9-21(20)17-29/h3-6,8-9,13-14,16H,7,10-12,15,17H2,1-2H3,(H,27,31)

InChI Key

NGXZKMDOTVYCAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.889

Distribution Coefficient, logD

3.740

Water Solubility, LogSw

-4.78

Polar Surface Area

41.049

Acid Dissociation Constant (pKa)

16.45

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with E014-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E014-0244?
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What is the minimum amount of E014-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E014-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E014-0244
  • 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 E014-0244 available by request