T158-0242 Screening compound: 3-[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

T158-0242 Screening compound: 3-[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
T158-0242 Screening compound: 3-[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T158-0242
3-[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]-N-(2-phenylethyl)pyrrolidine-1-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

T158-0242

Molecular Formula

C20H28N4O2 (C20 H28 N4 O2)

Compound Name

3-[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

IUPAC name

3-[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

SMILES

Cc1cnc(C(CC2)CN2C(NCCc2ccccc2)=O)n1CCOC

InChI

InChI=1S/C20H28N4O2/c1-16-14-22-19(24(16)12-13-26-2)18-9-11-23(15-18)20(25)21-10-8-17-6-4-3-5-7-17/h3-7,14,18H,8-13,15H2,1-2H3,(H,21,25)/t18-/m1/s1

InChI Key

YBLAHUGYDSZEPU-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31973244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.375

Distribution Coefficient, logD

1.947

Water Solubility, LogSw

-2.55

Polar Surface Area

46.676

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T158-0242 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T158-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T158-0242?
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What is the minimum amount of T158-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T158-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T158-0242
  • 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 T158-0242 available by request