8008-6685 Screening compound: 3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]propyl 2-methoxybenzoate

8008-6685 Screening compound: 3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]propyl 2-methoxybenzoate
8008-6685 Screening compound: 3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]propyl 2-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6685
3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]propyl 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

8008-6685

Molecular Formula

C24H22N2O5S (C24 H22 N2 O5 S)

Compound Name

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

IUPAC name

3-[(11-dioxo-1lambda62-benzothiazol-3-yl)(phenyl)amino]propyl 2-methoxybenzoate

SMILES

COc(cccc1)c1C(OCCCN(C(c1c2cccc1)=NS2(=O)=O)c1ccccc1)=O

InChI

InChI=1S/C24H22N2O5S/c1-30-21-14-7-5-12-19(21)24(27)31-17-9-16-26(18-10-3-2-4-11-18)23-20-13-6-8-15-22(20)32(28,29)25-23/h2-8,10-15H,9,16-17H2,1H3

InChI Key

FHTRDOOKZRLDTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01414461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.299

Distribution Coefficient, logD

4.299

Water Solubility, LogSw

-4.34

Polar Surface Area

70.490

Acid Dissociation Constant (pKa)

27.18

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8008-6685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6685?
Check Price and Availability of 8008-6685, 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 8008-6685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6685
  • 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 8008-6685 available by request