E511-0584 Screening compound: 6-chloro-7-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanesulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

E511-0584 Screening compound: 6-chloro-7-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanesulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
E511-0584 Screening compound: 6-chloro-7-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanesulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-0584
6-chloro-7-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanesulfonyl]-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

E511-0584

Molecular Formula

C20H19ClN2O5S (C20 H19 ClN2 O5 S)

Compound Name

6-chloro-7-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanesulfonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-chloro-7-[3-oxo-3-(1234-tetrahydroisoquinolin-2-yl)propanesulfonyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(CCS(c(cc(c(N1)c2)OCC1=O)c2Cl)(=O)=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C20H19ClN2O5S/c21-15-9-16-17(28-12-19(24)22-16)10-18(15)29(26,27)8-6-20(25)23-7-5-13-3-1-2-4-14(13)11-23/h1-4,9-10H,5-8,11-12H2,(H,22,24)

InChI Key

TYOFEQSKPGKIQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.9

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

1.969

Distribution Coefficient, logD

1.948

Water Solubility, LogSw

-2.97

Polar Surface Area

78.328

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E511-0584 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E511-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-0584?
Check Price and Availability of E511-0584, 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 E511-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-0584
  • 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 E511-0584 available by request