E465-0645 Screening compound: 2-methyl-N-(4-methylcyclohexyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

E465-0645 Screening compound: 2-methyl-N-(4-methylcyclohexyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
E465-0645 Screening compound: 2-methyl-N-(4-methylcyclohexyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E465-0645
2-methyl-N-(4-methylcyclohexyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

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

E465-0645

Molecular Formula

C16H22N2O3S2 (C16 H22 N2 O3 S2)

Compound Name

2-methyl-N-(4-methylcyclohexyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

2-methyl-N-(4-methylcyclohexyl)-3-oxo-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

CC(CC1)CCC1NS(c(cc1)cc(N2)c1SC(C)C2=O)(=O)=O

InChI

InChI=1S/C16H22N2O3S2/c1-10-3-5-12(6-4-10)18-23(20,21)13-7-8-15-14(9-13)17-16(19)11(2)22-15/h7-12,18H,3-6H2,1-2H3,(H,17,19)/t10?,11-,12?/m1/s1

InChI Key

RMXSTVGJHJRAKK-MOENNCHZSA-N

MDL Number (MFCD)

MFCD14854498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.131

Distribution Coefficient, logD

4.131

Water Solubility, LogSw

-4.14

Polar Surface Area

66.813

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

E465-0645 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 E465-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E465-0645?
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What is the minimum amount of E465-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E465-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E465-0645
  • 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 E465-0645 available by request