C517-5280 Screening compound: 3-methyl-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

C517-5280 Screening compound: 3-methyl-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one
C517-5280 Screening compound: 3-methyl-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-5280
3-methyl-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-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

C517-5280

Molecular Formula

C12H14N2O4S (C12 H14 N2 O4 S)

Compound Name

3-methyl-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-methyl-6-(pyrrolidine-1-sulfonyl)-23-dihydro-13-benzoxazol-2-one

SMILES

CN(c(ccc(S(N1CCCC1)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C12H14N2O4S/c1-13-10-5-4-9(8-11(10)18-12(13)15)19(16,17)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3

InChI Key

LXVPHYZCDSNFIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07359285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.290

Distribution Coefficient, logD

1.290

Water Solubility, LogSw

-2.41

Polar Surface Area

55.181

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C517-5280 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C517-5280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-5280?
Check Price and Availability of C517-5280, 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 C517-5280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-5280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-5280
  • 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 C517-5280 available by request