C528-1488 Screening compound: 1-(azepan-1-yl)-2-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}ethan-1-one

C528-1488 Screening compound: 1-(azepan-1-yl)-2-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}ethan-1-one
C528-1488 Screening compound: 1-(azepan-1-yl)-2-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C528-1488
1-(azepan-1-yl)-2-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}ethan-1-one

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

C528-1488

Molecular Formula

C19H23FN2O4S (C19 H23 FN2 O4 S)

Compound Name

1-(azepan-1-yl)-2-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-{[2-(2-fluorophenyl)-5-methyl-13-oxazol-4-yl]methanesulfonyl}ethan-1-one

SMILES

Cc1c(CS(CC(N2CCCCCC2)=O)(=O)=O)nc(-c(cccc2)c2F)o1

InChI

InChI=1S/C19H23FN2O4S/c1-14-17(21-19(26-14)15-8-4-5-9-16(15)20)12-27(24,25)13-18(23)22-10-6-2-3-7-11-22/h4-5,8-9H,2-3,6-7,10-13H2,1H3

InChI Key

CHUQJDFSVUWZNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.339

Distribution Coefficient, logD

2.339

Water Solubility, LogSw

-2.81

Polar Surface Area

63.113

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

C528-1488 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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 C528-1488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C528-1488?
Check Price and Availability of C528-1488, 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 C528-1488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C528-1488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C528-1488
  • 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 C528-1488 available by request