E959-1520 Screening compound: 6-{[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

E959-1520 Screening compound: 6-{[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one
E959-1520 Screening compound: 6-{[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E959-1520
6-{[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-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

E959-1520

Molecular Formula

C20H27N3O4S2 (C20 H27 N3 O4 S2)

Compound Name

6-{[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

6-{[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(C(CC1)CCN1S(c(cc1)cc(N2)c1SCC2=O)(=O)=O)N1CCCCCC1

InChI

InChI=1S/C20H27N3O4S2/c24-19-14-28-18-6-5-16(13-17(18)21-19)29(26,27)23-11-7-15(8-12-23)20(25)22-9-3-1-2-4-10-22/h5-6,13,15H,1-4,7-12,14H2,(H,21,24)

InChI Key

GNPUUPSNLFDAMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.157

Distribution Coefficient, logD

2.157

Water Solubility, LogSw

-2.86

Polar Surface Area

73.750

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

E959-1520 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E959-1520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E959-1520?
Check Price and Availability of E959-1520, 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 E959-1520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E959-1520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E959-1520
  • 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 E959-1520 available by request