S751-0591 Screening compound: N-{2-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]ethyl}-3-phenylpropanamide

S751-0591 Screening compound: N-{2-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]ethyl}-3-phenylpropanamide
S751-0591 Screening compound: N-{2-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]ethyl}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S751-0591
N-{2-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]ethyl}-3-phenylpropanamide

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

S751-0591

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

N-{2-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]ethyl}-3-phenylpropanamide

IUPAC name

N-{2-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]ethyl}-3-phenylpropanamide

SMILES

Cc1cnc(C2CCOCC2)n1CCNC(CCc1ccccc1)=O

InChI

InChI=1S/C20H27N3O2/c1-16-15-22-20(18-9-13-25-14-10-18)23(16)12-11-21-19(24)8-7-17-5-3-2-4-6-17/h2-6,15,18H,7-14H2,1H3,(H,21,24)

InChI Key

MGKKPZLLTOGSBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31995335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.491

Distribution Coefficient, logD

1.011

Water Solubility, LogSw

-2.50

Polar Surface Area

43.544

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S751-0591 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S751-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S751-0591?
Check Price and Availability of S751-0591, 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 S751-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S751-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S751-0591
  • 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 S751-0591 available by request