6423-0637 Screening compound: methyl 4-methyl-3-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzoate

6423-0637 Screening compound: methyl 4-methyl-3-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzoate
6423-0637 Screening compound: methyl 4-methyl-3-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6423-0637
methyl 4-methyl-3-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzoate

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

6423-0637

Molecular Formula

C18H16N2O6S (C18 H16 N2 O6 S)

Compound Name

methyl 4-methyl-3-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzoate

IUPAC name

methyl 4-methyl-3-[2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamido]benzoate

SMILES

Cc(ccc(C(OC)=O)c1)c1NC(CN(C(c1c2cccc1)=O)S2(=O)=O)=O

InChI

InChI=1S/C18H16N2O6S/c1-11-7-8-12(18(23)26-2)9-14(11)19-16(21)10-20-17(22)13-5-3-4-6-15(13)27(20,24)25/h3-9H,10H2,1-2H3,(H,19,21)

InChI Key

TZLPHVXXTVZDEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.538

Distribution Coefficient, logD

1.538

Water Solubility, LogSw

-2.72

Polar Surface Area

88.809

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6423-0637 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6423-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6423-0637?
Check Price and Availability of 6423-0637, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6423-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6423-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6423-0637
  • 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 6423-0637 available by request