T158-0003 Screening compound: 1-[(4-fluorophenyl)methyl]-5-methyl-2-(pyrrolidin-3-yl)-1H-imidazole

T158-0003 Screening compound: 1-[(4-fluorophenyl)methyl]-5-methyl-2-(pyrrolidin-3-yl)-1H-imidazole
T158-0003 Screening compound: 1-[(4-fluorophenyl)methyl]-5-methyl-2-(pyrrolidin-3-yl)-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound T158-0003
1-[(4-fluorophenyl)methyl]-5-methyl-2-(pyrrolidin-3-yl)-1H-imidazole

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

T158-0003

Molecular Formula

C15H18FN3 (C15 H18 FN3)

Compound Name

1-[(4-fluorophenyl)methyl]-5-methyl-2-(pyrrolidin-3-yl)-1H-imidazole

IUPAC name

1-[(4-fluorophenyl)methyl]-5-methyl-2-(pyrrolidin-3-yl)-1H-imidazole

SMILES

Cc1cnc(C2CNCC2)n1Cc(cc1)ccc1F

InChI

InChI=1S/C15H18FN3/c1-11-8-18-15(13-6-7-17-9-13)19(11)10-12-2-4-14(16)5-3-12/h2-5,8,13,17H,6-7,9-10H2,1H3/t13-/m0/s1

InChI Key

NVUXSJWOGSGRAS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD28897804

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

259.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.156

Distribution Coefficient, logD

-1.286

Water Solubility, LogSw

-1.71

Polar Surface Area

23.601

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

T158-0003 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T158-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T158-0003?
Check Price and Availability of T158-0003, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T158-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T158-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T158-0003
  • 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 T158-0003 available by request