C528-0436 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide

C528-0436 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide
C528-0436 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C528-0436
N-{3-[butyl(ethyl)amino]propyl}-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}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

C528-0436

Molecular Formula

C23H35N3O4S (C23 H35 N3 O4 S)

Compound Name

N-{3-[butyl(ethyl)amino]propyl}-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide

IUPAC name

N-{3-[butyl(ethyl)amino]propyl}-2-{[5-methyl-2-(4-methylphenyl)-13-oxazol-4-yl]methanesulfonyl}acetamide

SMILES

CCCCN(CC)CCCNC(CS(Cc1c(C)oc(-c2ccc(C)cc2)n1)(=O)=O)=O

InChI

InChI=1S/C23H35N3O4S/c1-5-7-14-26(6-2)15-8-13-24-22(27)17-31(28,29)16-21-19(4)30-23(25-21)20-11-9-18(3)10-12-20/h9-12H,5-8,13-17H2,1-4H3,(H,24,27)

InChI Key

VQXSKLUDTXAMPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.821

Distribution Coefficient, logD

0.071

Water Solubility, LogSw

-3.29

Polar Surface Area

74.638

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

10.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

C528-0436 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C528-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C528-0436?
Check Price and Availability of C528-0436, 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 C528-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C528-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C528-0436
  • 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 C528-0436 available by request