E912-0447 Screening compound: N-cycloheptyl-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

E912-0447 Screening compound: N-cycloheptyl-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
E912-0447 Screening compound: N-cycloheptyl-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0447
N-cycloheptyl-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

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

E912-0447

Molecular Formula

C20H28N2O4S2 (C20 H28 N2 O4 S2)

Compound Name

N-cycloheptyl-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

IUPAC name

N-cycloheptyl-2-methyl-3-[(2-methyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]propanamide

SMILES

CC(CS(c(cc1)cc(N2)c1SC(C)C2=O)(=O)=O)C(NC1CCCCCC1)=O

InChI

InChI=1S/C20H28N2O4S2/c1-13(19(23)21-15-7-5-3-4-6-8-15)12-28(25,26)16-9-10-18-17(11-16)22-20(24)14(2)27-18/h9-11,13-15H,3-8,12H2,1-2H3,(H,21,23)(H,22,24)

InChI Key

FNISMHQCRGMGBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

3.145

Water Solubility, LogSw

-3.48

Polar Surface Area

78.622

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

E912-0447 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E912-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0447?
Check Price and Availability of E912-0447, 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 E912-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0447
  • 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 E912-0447 available by request