E511-0570 Screening compound: 6-CHLORO-7-[3-(3-METHYLPIPERIDIN-1-YL)-3-OXOPROPANESULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE

E511-0570 Screening compound: 6-CHLORO-7-[3-(3-METHYLPIPERIDIN-1-YL)-3-OXOPROPANESULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE
E511-0570 Screening compound: 6-CHLORO-7-[3-(3-METHYLPIPERIDIN-1-YL)-3-OXOPROPANESULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-0570
6-CHLORO-7-[3-(3-METHYLPIPERIDIN-1-YL)-3-OXOPROPANESULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-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

E511-0570

Molecular Formula

C17H21ClN2O5S (C17 H21 ClN2 O5 S)

Compound Name

6-CHLORO-7-[3-(3-METHYLPIPERIDIN-1-YL)-3-OXOPROPANESULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE

IUPAC name

6-chloro-7-[3-(3-methylpiperidin-1-yl)-3-oxopropanesulfonyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC(CCC1)CN1C(CCS(c(cc(c(N1)c2)OCC1=O)c2Cl)(=O)=O)=O

InChI

InChI=1S/C17H21ClN2O5S/c1-11-3-2-5-20(9-11)17(22)4-6-26(23,24)15-8-14-13(7-12(15)18)19-16(21)10-25-14/h7-8,11H,2-6,9-10H2,1H3,(H,19,21)/t11-/m0/s1

InChI Key

YNSAVBJOMKLZLU-NSHDSACASA-N

MDL Number (MFCD)

MFCD14856036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.378

Distribution Coefficient, logD

1.357

Water Solubility, LogSw

-2.89

Polar Surface Area

78.599

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

E511-0570 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 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
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with E511-0570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-0570?
Check Price and Availability of E511-0570, 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 E511-0570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-0570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-0570
  • 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 E511-0570 available by request