L590-0446 Screening compound: N-[(3-chlorophenyl)methyl]-2-[6-(dimethylsulfamoyl)-2-oxo-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-yl]acetamide

L590-0446 Screening compound: N-[(3-chlorophenyl)methyl]-2-[6-(dimethylsulfamoyl)-2-oxo-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-yl]acetamide
L590-0446 Screening compound: N-[(3-chlorophenyl)methyl]-2-[6-(dimethylsulfamoyl)-2-oxo-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L590-0446
N-[(3-chlorophenyl)methyl]-2-[6-(dimethylsulfamoyl)-2-oxo-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-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

L590-0446

Molecular Formula

C17H18ClN3O4S3 (C17 H18 ClN3 O4 S3)

Compound Name

N-[(3-chlorophenyl)methyl]-2-[6-(dimethylsulfamoyl)-2-oxo-1H,2H,3H-thieno[2,3-b][1,4]thiazin-1-yl]acetamide

IUPAC name

N-[(3-chlorophenyl)methyl]-2-[6-(dimethylsulfamoyl)-2-oxo-1H2H3H-thieno[23-b][14]thiazin-1-yl]acetamide

SMILES

CN(C)S(c(s1)cc(N2CC(NCc3cccc(Cl)c3)=O)c1SCC2=O)(=O)=O

InChI

InChI=1S/C17H18ClN3O4S3/c1-20(2)28(24,25)16-7-13-17(27-16)26-10-15(23)21(13)9-14(22)19-8-11-4-3-5-12(18)6-11/h3-7H,8-10H2,1-2H3,(H,19,22)

InChI Key

QJETVOGNVJTQSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.624

Distribution Coefficient, logD

2.624

Water Solubility, LogSw

-3.49

Polar Surface Area

74.772

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with L590-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L590-0446?
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What is the minimum amount of L590-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L590-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L590-0446
  • 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 L590-0446 available by request