E628-1052 Screening compound: N-(3-chloro-2-methylphenyl)-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide

E628-1052 Screening compound: N-(3-chloro-2-methylphenyl)-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide
E628-1052 Screening compound: N-(3-chloro-2-methylphenyl)-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E628-1052
N-(3-chloro-2-methylphenyl)-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide

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

E628-1052

Molecular Formula

C18H19ClN2OS (C18 H19 ClN2 OS)

Compound Name

N-(3-chloro-2-methylphenyl)-2-ethyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-ethyl-34-dihydro-2H-14-benzothiazine-4-carboxamide

SMILES

CCC(C1)Sc(cccc2)c2N1C(Nc1cccc(Cl)c1C)=O

InChI

InChI=1S/C18H19ClN2OS/c1-3-13-11-21(16-9-4-5-10-17(16)23-13)18(22)20-15-8-6-7-14(19)12(15)2/h4-10,13H,3,11H2,1-2H3,(H,20,22)/t13-/m1/s1

InChI Key

XXIJNOLRFAHECY-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14905285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.960

Distribution Coefficient, logD

5.960

Water Solubility, LogSw

-5.91

Polar Surface Area

23.608

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

E628-1052 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E628-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E628-1052?
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What is the minimum amount of E628-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E628-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E628-1052
  • 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 E628-1052 available by request