E635-0548 Screening compound: 1-(2,5-dimethoxyphenyl)-3-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]propyl}urea

E635-0548 Screening compound: 1-(2,5-dimethoxyphenyl)-3-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]propyl}urea
E635-0548 Screening compound: 1-(2,5-dimethoxyphenyl)-3-{1-[6-ethyl-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 E635-0548
1-(2,5-dimethoxyphenyl)-3-{1-[6-ethyl-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

E635-0548

Molecular Formula

C25H32N4O3S (C25 H32 N4 O3 S)

Compound Name

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

IUPAC name

1-(25-dimethoxyphenyl)-3-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H5H6H7H-thieno[23-c]pyridin-3-yl]propyl}urea

SMILES

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

InChI

InChI=1S/C25H32N4O3S/c1-5-19(26-25(30)27-20-15-17(31-3)9-10-21(20)32-4)23-18-11-14-28(6-2)16-22(18)33-24(23)29-12-7-8-13-29/h7-10,12-13,15,19H,5-6,11,14,16H2,1-4H3,(H2,26,27,30)/t19-/m0/s1

InChI Key

CAPMBDOURMKUGE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14905985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.618

Distribution Coefficient, logD

1.905

Water Solubility, LogSw

-4.33

Polar Surface Area

56.416

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

10.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

E635-0548 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Purinergic Library (3321 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Others
  • GPCR
  • Ion Channels
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E635-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E635-0548?
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What is the minimum amount of E635-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E635-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E635-0548
  • 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 E635-0548 available by request