E628-1008 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide

E628-1008 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide
E628-1008 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E628-1008
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-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

E628-1008

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-methyl-34-dihydro-2H-14-benzothiazine-4-carboxamide

SMILES

CC(C1)Sc(cccc2)c2N1C(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C18H18N2O3S/c1-12-11-20(14-4-2-3-5-17(14)24-12)18(21)19-13-6-7-15-16(10-13)23-9-8-22-15/h2-7,10,12H,8-9,11H2,1H3,(H,19,21)/t12-/m0/s1

InChI Key

UPCKWBYGMCAZCU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14905256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-3.48

Polar Surface Area

40.129

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

E628-1008 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E628-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E628-1008?
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What is the minimum amount of E628-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E628-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E628-1008
  • 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 E628-1008 available by request