S751-1889 Screening compound: N-[2-(2,5-dimethyl-1H-imidazol-1-yl)ethyl]cyclopentanecarboxamide

S751-1889 Screening compound: N-[2-(2,5-dimethyl-1H-imidazol-1-yl)ethyl]cyclopentanecarboxamide
S751-1889 Screening compound: N-[2-(2,5-dimethyl-1H-imidazol-1-yl)ethyl]cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S751-1889
N-[2-(2,5-dimethyl-1H-imidazol-1-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

S751-1889

Molecular Formula

C13H21N3O (C13 H21 N3 O)

Compound Name

N-[2-(2,5-dimethyl-1H-imidazol-1-yl)ethyl]cyclopentanecarboxamide

IUPAC name

N-[2-(25-dimethyl-1H-imidazol-1-yl)ethyl]cyclopentanecarboxamide

SMILES

Cc1cnc(C)n1CCNC(C1CCCC1)=O

InChI

InChI=1S/C13H21N3O/c1-10-9-15-11(2)16(10)8-7-14-13(17)12-5-3-4-6-12/h9,12H,3-8H2,1-2H3,(H,14,17)

InChI Key

SWOCCVJIXUHYBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31966950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

n/a

Partition Coefficient, logP

1.490

Distribution Coefficient, logD

-0.139

Water Solubility, LogSw

-1.78

Polar Surface Area

37.263

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.23

S751-1889 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S751-1889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S751-1889?
Check Price and Availability of S751-1889, 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 S751-1889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S751-1889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S751-1889
  • 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 S751-1889 available by request