E635-0579 Screening compound: 3-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]propyl}-1-(2-methoxy-5-methylphenyl)urea

E635-0579 Screening compound: 3-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]propyl}-1-(2-methoxy-5-methylphenyl)urea
E635-0579 Screening compound: 3-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]propyl}-1-(2-methoxy-5-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E635-0579
3-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]propyl}-1-(2-methoxy-5-methylphenyl)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

E635-0579

Molecular Formula

C25H32N4O2S (C25 H32 N4 O2 S)

Compound Name

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

IUPAC name

3-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H5H6H7H-thieno[23-c]pyridin-3-yl]propyl}-1-(2-methoxy-5-methylphenyl)urea

SMILES

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

InChI

InChI=1S/C25H32N4O2S/c1-5-19(26-25(30)27-20-15-17(3)9-10-21(20)31-4)23-18-11-14-28(6-2)16-22(18)32-24(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

SERZXRBTGGVFSU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14905990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.771

Distribution Coefficient, logD

2.058

Water Solubility, LogSw

-4.43

Polar Surface Area

48.872

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

10.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

E635-0579 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

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 E635-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E635-0579?
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What is the minimum amount of E635-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E635-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E635-0579
  • 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 E635-0579 available by request