4593-8316 Screening compound: N-(3,4-dimethylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide

4593-8316 Screening compound: N-(3,4-dimethylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
4593-8316 Screening compound: N-(3,4-dimethylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-8316
N-(3,4-dimethylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide

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

4593-8316

Molecular Formula

C18H18N2O2S (C18 H18 N2 O2 S)

Compound Name

N-(3,4-dimethylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide

IUPAC name

N-(34-dimethylphenyl)-2-(3-oxo-34-dihydro-2H-14-benzothiazin-2-yl)acetamide

SMILES

Cc(cc1)c(C)cc1NC(CC1Sc(cccc2)c2NC1=O)=O

InChI

InChI=1S/C18H18N2O2S/c1-11-7-8-13(9-12(11)2)19-17(21)10-16-18(22)20-14-5-3-4-6-15(14)23-16/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)/t16-/m0/s1

InChI Key

BIJWKKGGOMXGSX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02654190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

3.699

Water Solubility, LogSw

-3.89

Polar Surface Area

47.994

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

4593-8316 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4593-8316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-8316?
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What is the minimum amount of 4593-8316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-8316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-8316
  • 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 4593-8316 available by request