S751-0504 Screening compound: N-{2-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]ethyl}-2-phenoxypropanamide

S751-0504 Screening compound: N-{2-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]ethyl}-2-phenoxypropanamide
S751-0504 Screening compound: N-{2-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]ethyl}-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S751-0504
N-{2-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]ethyl}-2-phenoxypropanamide

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

S751-0504

Molecular Formula

C20H27N3O3 (C20 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCCn1c(C2CCOCC2)ncc1C)=O)Oc1ccccc1

InChI

InChI=1S/C20H27N3O3/c1-15-14-22-19(17-8-12-25-13-9-17)23(15)11-10-21-20(24)16(2)26-18-6-4-3-5-7-18/h3-7,14,16-17H,8-13H2,1-2H3,(H,21,24)/t16-/m0/s1

InChI Key

JXYSJBABVLFWNP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32227535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

1.042

Water Solubility, LogSw

-2.52

Polar Surface Area

50.546

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S751-0504 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 S751-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S751-0504?
Check Price and Availability of S751-0504, 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 S751-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S751-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S751-0504
  • 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 S751-0504 available by request