T161-0438 Screening compound: N-[2-(5-methyl-1-propyl-1H-imidazol-2-yl)ethyl]cyclopentanecarboxamide

T161-0438 Screening compound: N-[2-(5-methyl-1-propyl-1H-imidazol-2-yl)ethyl]cyclopentanecarboxamide
T161-0438 Screening compound: N-[2-(5-methyl-1-propyl-1H-imidazol-2-yl)ethyl]cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T161-0438
N-[2-(5-methyl-1-propyl-1H-imidazol-2-yl)ethyl]cyclopentanecarboxamide

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

T161-0438

Molecular Formula

C15H25N3O (C15 H25 N3 O)

Compound Name

N-[2-(5-methyl-1-propyl-1H-imidazol-2-yl)ethyl]cyclopentanecarboxamide

IUPAC name

N-[2-(5-methyl-1-propyl-1H-imidazol-2-yl)ethyl]cyclopentanecarboxamide

SMILES

CCCn1c(CCNC(C2CCCC2)=O)ncc1C

InChI

InChI=1S/C15H25N3O/c1-3-10-18-12(2)11-17-14(18)8-9-16-15(19)13-6-4-5-7-13/h11,13H,3-10H2,1-2H3,(H,16,19)

InChI Key

ZEIJVVUCRLEMCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31975319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.217

Distribution Coefficient, logD

0.804

Water Solubility, LogSw

-2.32

Polar Surface Area

37.462

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.33

T161-0438 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 T161-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T161-0438?
Check Price and Availability of T161-0438, 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 T161-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T161-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T161-0438
  • 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 T161-0438 available by request