E470-1152 Screening compound: 1-{6-[(4-cyclohexylpiperazino)sulfonyl]-2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-1-ethanone

E470-1152 Screening compound: 1-{6-[(4-cyclohexylpiperazino)sulfonyl]-2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-1-ethanone
E470-1152 Screening compound: 1-{6-[(4-cyclohexylpiperazino)sulfonyl]-2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E470-1152
1-{6-[(4-cyclohexylpiperazino)sulfonyl]-2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-1-ethanone

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

E470-1152

Molecular Formula

C21H31N3O3S2 (C21 H31 N3 O3 S2)

Compound Name

1-{6-[(4-cyclohexylpiperazino)sulfonyl]-2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-1-ethanone

IUPAC name

1-{6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-2-methyl-34-dihydro-2H-14-benzothiazin-4-yl}ethan-1-one

SMILES

CC(C1)Sc(ccc(S(N(CC2)CCN2C2CCCCC2)(=O)=O)c2)c2N1C(C)=O

InChI

InChI=1S/C21H31N3O3S2/c1-16-15-24(17(2)25)20-14-19(8-9-21(20)28-16)29(26,27)23-12-10-22(11-13-23)18-6-4-3-5-7-18/h8-9,14,16,18H,3-7,10-13,15H2,1-2H3/t16-/m1/s1

InChI Key

LEKHSLUROXEZCL-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14854953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.270

Water Solubility, LogSw

-3.81

Polar Surface Area

51.028

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

E470-1152 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E470-1152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E470-1152?
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What is the minimum amount of E470-1152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E470-1152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E470-1152
  • 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 E470-1152 available by request