E958-0508 Screening compound: 1-[5-(2-{[(3,4-DIETHOXYPHENETHYL)AMINO]METHYL}-1H-PYRROL-1-YL)-1,3,4-THIADIAZOL-2-YL]-4-PIPERIDINECARBOXYLIC ACID

E958-0508 Screening compound: 1-[5-(2-{[(3,4-DIETHOXYPHENETHYL)AMINO]METHYL}-1H-PYRROL-1-YL)-1,3,4-THIADIAZOL-2-YL]-4-PIPERIDINECARBOXYLIC ACID
E958-0508 Screening compound: 1-[5-(2-{[(3,4-DIETHOXYPHENETHYL)AMINO]METHYL}-1H-PYRROL-1-YL)-1,3,4-THIADIAZOL-2-YL]-4-PIPERIDINECARBOXYLIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0508
1-[5-(2-{[(3,4-DIETHOXYPHENETHYL)AMINO]METHYL}-1H-PYRROL-1-YL)-1,3,4-THIADIAZOL-2-YL]-4-PIPERIDINECARBOXYLIC ACID

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

E958-0508

Molecular Formula

C25H33N5O4S (C25 H33 N5 O4 S)

Compound Name

1-[5-(2-{[(3,4-DIETHOXYPHENETHYL)AMINO]METHYL}-1H-PYRROL-1-YL)-1,3,4-THIADIAZOL-2-YL]-4-PIPERIDINECARBOXYLIC ACID

IUPAC name

n/a

SMILES

CCOc(ccc(CCNCc1cccn1-c1nnc(N(CC2)CCC2C(O)=O)s1)c1)c1OCC

InChI

InChI=1S/C25H33N5O4S/c1-3-33-21-8-7-18(16-22(21)34-4-2)9-12-26-17-20-6-5-13-30(20)25-28-27-24(35-25)29-14-10-19(11-15-29)23(31)32/h5-8,13,16,19,26H,3-4,9-12,14-15,17H2,1-2H3,(H,31,32)

InChI Key

JNCWHSKETZBUDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.104

Distribution Coefficient, logD

-0.449

Water Solubility, LogSw

-2.71

Polar Surface Area

83.790

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

E958-0508 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E958-0508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0508?
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What is the minimum amount of E958-0508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0508
  • 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 E958-0508 available by request