4137-0334 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]phenyl 3,4-dimethoxybenzoate

4137-0334 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]phenyl 3,4-dimethoxybenzoate
4137-0334 Screening compound: 4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]phenyl 3,4-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4137-0334
4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]phenyl 3,4-dimethoxybenzoate

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

4137-0334

Molecular Formula

C23H20N2O6S (C23 H20 N2 O6 S)

Compound Name

4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]phenyl 3,4-dimethoxybenzoate

IUPAC name

4-[(11-dioxo-1lambda62-benzothiazol-3-yl)(methyl)amino]phenyl 34-dimethoxybenzoate

SMILES

CN(C(c1c2cccc1)=NS2(=O)=O)c(cc1)ccc1OC(c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C23H20N2O6S/c1-25(22-18-6-4-5-7-21(18)32(27,28)24-22)16-9-11-17(12-10-16)31-23(26)15-8-13-19(29-2)20(14-15)30-3/h4-14H,1-3H3

InChI Key

WKZDWELEJJFAPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02951306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.722

Distribution Coefficient, logD

2.722

Water Solubility, LogSw

-3.56

Polar Surface Area

77.490

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4137-0334 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4137-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4137-0334?
Check Price and Availability of 4137-0334, 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 4137-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4137-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4137-0334
  • 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 4137-0334 available by request