S751-1581 Screening compound: N-[2-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-methylcyclohexane-1-carboxamide

S751-1581 Screening compound: N-[2-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-methylcyclohexane-1-carboxamide
S751-1581 Screening compound: N-[2-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-methylcyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S751-1581
N-[2-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-methylcyclohexane-1-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

S751-1581

Molecular Formula

C18H29N3O (C18 H29 N3 O)

Compound Name

N-[2-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-methylcyclohexane-1-carboxamide

IUPAC name

N-[2-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-methylcyclohexane-1-carboxamide

SMILES

CC1(CCCCC1)C(NCCn1c(C2CCC2)ncc1C)=O

InChI

InChI=1S/C18H29N3O/c1-14-13-20-16(15-7-6-8-15)21(14)12-11-19-17(22)18(2)9-4-3-5-10-18/h13,15H,3-12H2,1-2H3,(H,19,22)

InChI Key

HSULXJVWTJGYLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31966770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.885

Distribution Coefficient, logD

0.339

Water Solubility, LogSw

-2.85

Polar Surface Area

36.372

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.78

S751-1581 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)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S751-1581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S751-1581?
Check Price and Availability of S751-1581, 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 S751-1581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S751-1581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S751-1581
  • 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 S751-1581 available by request