T161-0654 Screening compound: 2-cyclopentyl-N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}acetamide

T161-0654 Screening compound: 2-cyclopentyl-N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}acetamide
T161-0654 Screening compound: 2-cyclopentyl-N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T161-0654
2-cyclopentyl-N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}acetamide

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

T161-0654

Molecular Formula

C16H27N3O (C16 H27 N3 O)

Compound Name

2-cyclopentyl-N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}acetamide

IUPAC name

2-cyclopentyl-N-{2-[5-methyl-1-(propan-2-yl)-1H-imidazol-2-yl]ethyl}acetamide

SMILES

CC(C)n1c(CCNC(CC2CCCC2)=O)ncc1C

InChI

InChI=1S/C16H27N3O/c1-12(2)19-13(3)11-18-15(19)8-9-17-16(20)10-14-6-4-5-7-14/h11-12,14H,4-10H2,1-3H3,(H,17,20)

InChI Key

ROCQZIDNMFXORW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31975345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.41

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

1.937

Distribution Coefficient, logD

-0.471

Water Solubility, LogSw

-2.19

Polar Surface Area

38.346

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

9.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

T161-0654 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T161-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T161-0654?
Check Price and Availability of T161-0654, 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 T161-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T161-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T161-0654
  • 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 T161-0654 available by request