E635-0145 Screening compound: 1-(3,4-dimethoxyphenyl)-3-{1-[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]propyl}urea

E635-0145 Screening compound: 1-(3,4-dimethoxyphenyl)-3-{1-[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]propyl}urea
E635-0145 Screening compound: 1-(3,4-dimethoxyphenyl)-3-{1-[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]propyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E635-0145
1-(3,4-dimethoxyphenyl)-3-{1-[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]propyl}urea

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

E635-0145

Molecular Formula

C24H30N4O3S (C24 H30 N4 O3 S)

Compound Name

1-(3,4-dimethoxyphenyl)-3-{1-[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]propyl}urea

IUPAC name

1-(34-dimethoxyphenyl)-3-{1-[6-methyl-2-(1H-pyrrol-1-yl)-4H5H6H7H-thieno[23-c]pyridin-3-yl]propyl}urea

SMILES

CCC(c1c(-n2cccc2)sc2c1CCN(C)C2)NC(Nc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C24H30N4O3S/c1-5-18(26-24(29)25-16-8-9-19(30-3)20(14-16)31-4)22-17-10-13-27(2)15-21(17)32-23(22)28-11-6-7-12-28/h6-9,11-12,14,18H,5,10,13,15H2,1-4H3,(H2,25,26,29)/t18-/m0/s1

InChI Key

WYVNWVLNIMVDCG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14905931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

1.326

Water Solubility, LogSw

-4.02

Polar Surface Area

57.140

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

E635-0145 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Purinergic Library (3321 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:
  • 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 E635-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E635-0145?
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What is the minimum amount of E635-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E635-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E635-0145
  • 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 E635-0145 available by request