T161-0682 Screening compound: N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}pyridine-3-carboxamide

T161-0682 Screening compound: N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}pyridine-3-carboxamide
T161-0682 Screening compound: N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T161-0682
N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}pyridine-3-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

T161-0682

Molecular Formula

C15H20N4O (C15 H20 N4 O)

Compound Name

N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}pyridine-3-carboxamide

IUPAC name

N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}pyridine-3-carboxamide

SMILES

CC(C)n1c(CCNC(c2cnccc2)=O)ncc1C

InChI

InChI=1S/C15H20N4O/c1-11(2)19-12(3)9-18-14(19)6-8-17-15(20)13-5-4-7-16-10-13/h4-5,7,9-11H,6,8H2,1-3H3,(H,17,20)

InChI Key

PWANYWHNVZYVPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31973060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.790

Distribution Coefficient, logD

-0.263

Water Solubility, LogSw

-1.00

Polar Surface Area

47.519

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

8.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

T161-0682 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T161-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T161-0682?
Check Price and Availability of T161-0682, 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 T161-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T161-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T161-0682
  • 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 T161-0682 available by request