T158-0304 Screening compound: 2-(3-methoxyphenyl)-1-[3-(5-methyl-1-propyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethan-1-one

T158-0304 Screening compound: 2-(3-methoxyphenyl)-1-[3-(5-methyl-1-propyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethan-1-one
T158-0304 Screening compound: 2-(3-methoxyphenyl)-1-[3-(5-methyl-1-propyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T158-0304
2-(3-methoxyphenyl)-1-[3-(5-methyl-1-propyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethan-1-one

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

T158-0304

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

2-(3-methoxyphenyl)-1-[3-(5-methyl-1-propyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethan-1-one

IUPAC name

2-(3-methoxyphenyl)-1-[3-(5-methyl-1-propyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethan-1-one

SMILES

CCCn1c(C(CC2)CN2C(Cc2cc(OC)ccc2)=O)ncc1C

InChI

InChI=1S/C20H27N3O2/c1-4-9-23-15(2)13-21-20(23)17-8-10-22(14-17)19(24)12-16-6-5-7-18(11-16)25-3/h5-7,11,13,17H,4,8-10,12,14H2,1-3H3/t17-/m1/s1

InChI Key

BEHTVRBFUMAOBM-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31974383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.229

Distribution Coefficient, logD

1.894

Water Solubility, LogSw

-2.95

Polar Surface Area

35.366

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T158-0304 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 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
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T158-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T158-0304?
Check Price and Availability of T158-0304, 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 T158-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T158-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T158-0304
  • 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 T158-0304 available by request