4489-8405 Screening compound: 2-[2-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl 2-methoxybenzoate

4489-8405 Screening compound: 2-[2-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl 2-methoxybenzoate
4489-8405 Screening compound: 2-[2-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl 2-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-8405
2-[2-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl 2-methoxybenzoate

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

4489-8405

Molecular Formula

C23H19ClN2O5S (C23 H19 ClN2 O5 S)

Compound Name

2-[2-chloro(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl 2-methoxybenzoate

IUPAC name

2-[(2-chlorophenyl)(11-dioxo-1lambda62-benzothiazol-3-yl)amino]ethyl 2-methoxybenzoate

SMILES

COc(cccc1)c1C(OCCN(C(c1c2cccc1)=NS2(=O)=O)c(cccc1)c1Cl)=O

InChI

InChI=1S/C23H19ClN2O5S/c1-30-20-12-6-2-8-16(20)23(27)31-15-14-26(19-11-5-4-10-18(19)24)22-17-9-3-7-13-21(17)32(28,29)25-22/h2-13H,14-15H2,1H3

InChI Key

YHZDBOMPUHVNNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01446447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.464

Distribution Coefficient, logD

4.464

Water Solubility, LogSw

-4.59

Polar Surface Area

70.189

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4489-8405 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 4489-8405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-8405?
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What is the minimum amount of 4489-8405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-8405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-8405
  • 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 4489-8405 available by request