C527-1029 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide

C527-1029 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide
C527-1029 Screening compound: N-[2-(azepan-1-yl)ethyl]-2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C527-1029
N-[2-(azepan-1-yl)ethyl]-2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}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

C527-1029

Molecular Formula

C21H28ClN3O3S (C21 H28 ClN3 O3 S)

Compound Name

N-[2-(azepan-1-yl)ethyl]-2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-2-{[2-(4-chlorophenyl)-5-methyl-13-oxazol-4-yl]methanesulfinyl}acetamide

SMILES

Cc1c(CS(CC(NCCN2CCCCCC2)=O)=O)nc(-c(cc2)ccc2Cl)o1

InChI

InChI=1S/C21H30ClN3O3S/c1-16-19(24-21(28-16)17-6-8-18(22)9-7-17)14-29(27)15-20(26)23-10-13-25-11-4-2-3-5-12-25/h6-9H,2-5,10-15,29H2,1H3,(H,23,26)

InChI Key

GPVZSVYPGAIHPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.838

Distribution Coefficient, logD

1.223

Water Solubility, LogSw

-3.69

Polar Surface Area

61.760

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C527-1029 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C527-1029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C527-1029?
Check Price and Availability of C527-1029, 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 C527-1029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C527-1029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C527-1029
  • 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 C527-1029 available by request